Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
angiotensin-converting enzyme inhibitors	484	62571-86-2

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: captopril (-)-Captopril L-Captopril lopirin S-Captopril SQ14225 SQ-14225 SQ 14225	A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin. Molecular weight: 217.28 Formula: C9H15NO3S CLOGP: 0.89 LIPINSKI: 0 HAC: 4 HDO: 1 TPSA: 57.61 ALOGS: -1.68 ROTB: 3 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

captopril
(-)-Captopril
L-Captopril
lopirin
S-Captopril
SQ14225
SQ-14225
SQ 14225

A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.

Molecular weight: 217.28
Formula: C9H15NO3S
CLOGP: 0.89
LIPINSKI: 0
HAC: 4
HDO: 1
TPSA: 57.61
ALOGS: -1.68
ROTB: 3

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
50	mg	O

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	3	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	160 mg/mL	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	38 %	Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose)	19.72 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability)	69 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution)	0.75 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	12 mL/min/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.73 %	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	2 hours	Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	-2.683		High	1
caco2-efflux	Caco-2 efflux ratio (BA/AB)	0.735		High	1
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	0.834	10^-6 cm/s	High	1
dh-clint	Dog hepatocyte intrinsic clearance	3.006	uL/min/10^6 cells	High	1
dppb	Dog plasma protein binding (% unbound)	73	%	High	1
fcs-ppb	Fetal calf serum protein binding (% unbound)	56.240	%	High	1
herg	hERG pIC50	4.150	pIC50	High	1
hh-clint	Human hepatocyte intrinsic clearance	1.663	uL/min/10^6 cells	High	1
hlm-clint	Human liver microsomal intrinsic clearance	3.606	uL/min/mg protein	High	1
hppb	Human plasma protein binding (% unbound)	62.130	%	High	1
kinase-safety-class	ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70	42
kinase-selectivity-class	ACVR2B,AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PIK3CD,PRKDC,STK33,TEK,TGFBR1	14
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	0.403		High	1
mh-clint	Mouse hepatocyte intrinsic clearance	5.821		High	1
mppb	Mouse plasma protein binding (% unbound)	93.460		High	1
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	0.272		High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	74.210	%	High	1
rh-clint	Rat hepatocyte intrinsic clearance	1.390	uL/min/10^6 cells	High	1
rh-fuinc	Rat hepatocyte fraction unbound in incubation	95.230	%	High	1
rppb	Rat plasma protein binding (% unbound)	71.670	%	High	1
solubility-dd	Solubility at pH 7.4 in DMSO	810.961	uM	High	1

Approvals:

Date	Agency	Company	Orphan
April 6, 1981	FDA	PAR PHARM

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Segmental diverticular colitis	101.32	15.32	18	12396	156	90615877
Pedal pulse abnormal	96.78	15.32	18	12396	206	90615827
Cardiac failure congestive	94.37	15.32	90	12324	98604	90517429
Toxic epidermal necrolysis	90.31	15.32	56	12358	32472	90583561
Calcium ionised decreased	87.87	15.32	18	12396	350	90615683
Reduced facial expression	86.40	15.32	26	12388	2527	90613506
Blood pressure abnormal	76.16	15.32	42	12372	19603	90596430
Listless	72.17	15.32	24	12390	3225	90612808
Restlessness	71.19	15.32	50	12364	35670	90580363
Feeding intolerance	69.71	15.32	18	12396	996	90615037
Insulin autoimmune syndrome	69.25	15.32	13	12401	157	90615876
Hyponatraemia	67.16	15.32	87	12327	133451	90482582
Head discomfort	66.30	15.32	36	12378	16297	90599736
Multiple organ dysfunction syndrome	64.69	15.32	62	12352	68274	90547759
Dermatitis exfoliative	63.17	15.32	25	12389	5511	90610522
Dehydration	57.82	15.32	99	12315	194348	90421685
Apathy	52.36	15.32	27	12387	11013	90605020
Myocardial infarction	51.64	15.32	68	12346	105904	90510129
Left ventricular hypertrophy	50.66	15.32	22	12392	6122	90609911
Foreign body	49.78	15.32	17	12397	2477	90613556
Self-injurious ideation	49.31	15.32	18	12396	3185	90612848
Prescription drug used without a prescription	49.02	15.32	18	12396	3237	90612796
Drug interaction	48.64	15.32	113	12301	276340	90339693
Hyperthyroidism	46.99	15.32	30	12384	18280	90597753
Cardiac failure	46.90	15.32	66	12348	109430	90506603
Atrial fibrillation	45.04	15.32	72	12342	133539	90482494
Labile hypertension	44.62	15.32	11	12403	504	90615529
Electrolyte imbalance	44.45	15.32	32	12382	23713	90592320
Immobile	43.45	15.32	20	12394	6378	90609655
Gastrointestinal sounds abnormal	43.20	15.32	18	12396	4525	90611508
Haemodynamic instability	42.50	15.32	24	12390	11715	90604318
Hypokalaemia	41.94	15.32	69	12345	131047	90484986
Renal failure	39.31	15.32	67	12347	130940	90485093
Cholecystitis	39.03	15.32	26	12388	17014	90599019
Systemic lupus erythematosus	38.25	15.32	3	12411	361893	90254140
Joint swelling	37.89	15.32	11	12403	503289	90112744
Infusion related reaction	37.68	15.32	6	12408	416774	90199259
Cognitive disorder	37.68	15.32	47	12367	69360	90546673
Affect lability	37.65	15.32	26	12388	18037	90597996
Hypotension	35.95	15.32	112	12302	325285	90290748
Urinary retention	35.24	15.32	34	12380	37710	90578323
Abdominal discomfort	34.90	15.32	11	12403	477317	90138716
Blood urea increased	33.42	15.32	30	12384	30383	90585650
Acute kidney injury	32.41	15.32	107	12307	320280	90295753
Acute myocardial infarction	31.77	15.32	31	12383	34859	90581174
Skin test positive	29.74	15.32	9	12405	891	90615142
Pelvic fracture	29.61	15.32	21	12393	15198	90600835
Encephalopathy	29.38	15.32	34	12380	46410	90569623
Cholelithiasis	29.21	15.32	36	12378	52470	90563563
Metabolic acidosis	29.10	15.32	37	12377	55639	90560394
Bedridden	28.95	15.32	19	12395	12129	90603904
Hypertensive crisis	28.87	15.32	22	12392	17762	90598271
Stomatitis	27.09	15.32	3	12411	274695	90341338
Maternal exposure during pregnancy	26.84	15.32	8	12406	360055	90255978
Circulatory collapse	26.25	15.32	24	12390	24880	90591153
Abnormal behaviour	26.21	15.32	23	12391	22605	90593428
Scleroderma renal crisis	26.16	15.32	7	12407	445	90615588
Alopecia	26.04	15.32	18	12396	495053	90120980
Blood sodium decreased	26.01	15.32	25	12389	27588	90588445
Coronary artery disease	25.38	15.32	27	12387	33596	90582437
Therapeutic product effect decreased	25.06	15.32	4	12410	277567	90338466
Cyanosis	25.03	15.32	21	12393	19434	90596599
Fatigue	24.53	15.32	79	12335	1153944	89462089
Renal injury	24.36	15.32	16	12398	10227	90605806
Pain	24.22	15.32	64	12350	996277	89619756
Arthropathy	24.10	15.32	10	12404	366232	90249801
Hypoacusis	23.97	15.32	24	12390	27826	90588207
Occupational exposure to product	23.97	15.32	10	12404	2521	90613512
Vascular stent thrombosis	23.82	15.32	8	12406	1108	90614925
Rheumatoid arthritis	23.71	15.32	10	12404	362604	90253429
Sudden death	23.44	15.32	16	12398	10893	90605140
Respiratory disorder	23.31	15.32	36	12378	64780	90551253
Hyperkalaemia	23.24	15.32	36	12378	64928	90551105
Cross sensitivity reaction	22.80	15.32	10	12404	2847	90613186
Bradycardia	22.69	15.32	41	12373	83806	90532227
Nasopharyngitis	22.49	15.32	14	12400	407090	90208943
Oxygen saturation decreased	22.32	15.32	47	12367	107436	90508597
Blood potassium decreased	22.27	15.32	30	12384	47697	90568336
Cerebrovascular accident	22.23	15.32	51	12363	123482	90492551
Blood pressure decreased	22.05	15.32	38	12376	74857	90541176
Hepatic enzyme increased	21.95	15.32	11	12403	360725	90255308
Electrocardiogram abnormal	21.88	15.32	15	12399	10283	90605750
Blood creatinine increased	21.83	15.32	45	12369	101341	90514692
Lower respiratory tract infection	21.77	15.32	4	12410	250655	90365378
Sinusitis	21.58	15.32	10	12404	343078	90272955
Swelling	21.03	15.32	16	12398	419042	90196991
Contraindicated product administered	20.65	15.32	9	12405	320130	90295903
Nodal rhythm	20.01	15.32	8	12406	1810	90614223
Cardiac failure acute	19.90	15.32	15	12399	11914	90604119
Cardio-respiratory arrest	19.86	15.32	33	12381	63107	90552926
Arthralgia	19.67	15.32	49	12365	778473	89837560
Musculoskeletal stiffness	19.66	15.32	8	12406	296524	90319509
Renal impairment	19.50	15.32	44	12370	105377	90510656
Stevens-Johnson syndrome	19.41	15.32	22	12392	29354	90586679
Elastosis perforans	19.29	15.32	3	12411	10	90616023
Angiopathy	19.29	15.32	11	12403	5469	90610564
Lymphocytosis	19.20	15.32	9	12405	2988	90613045
Psoriatic arthropathy	19.08	15.32	4	12410	228331	90387702
Extrasystoles	18.96	15.32	11	12403	5646	90610387
Posterior reversible encephalopathy syndrome	18.77	15.32	19	12395	22320	90593713
Vertigo	18.72	15.32	34	12380	69777	90546256
Respiratory failure	18.21	15.32	46	12368	118372	90497661
Dermatitis contact	18.16	15.32	15	12399	13580	90602453
Artery dissection	17.71	15.32	4	12410	125	90615908
Off label use	17.33	15.32	85	12329	1102167	89513866
Sinus bradycardia	17.21	15.32	16	12398	16936	90599097
Poor quality sleep	17.18	15.32	19	12395	24674	90591359
Syncope	16.83	15.32	48	12366	132615	90483418
Migraine	16.61	15.32	3	12411	190389	90425644
Delirium	16.52	15.32	41	12373	104318	90511715
Wheezing	16.48	15.32	6	12408	238074	90377959
Shock	16.43	15.32	20	12394	28758	90587275
Progressive supranuclear palsy	16.40	15.32	4	12410	175	90615858
Cardiac arrest	16.38	15.32	41	12373	104894	90511139
Potentiating drug interaction	16.35	15.32	10	12404	5652	90610381
Ill-defined disorder	15.95	15.32	3	12411	184888	90431145
Dry mouth	15.85	15.32	3	12411	184056	90431977
Occupational dermatitis	15.50	15.32	3	12411	43	90615990
Ventricular tachycardia	15.47	15.32	18	12396	24690	90591343

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Cyanosis	46.86	14.92	33	9159	14998	42597145
Angioedema	39.09	14.92	47	9145	42430	42569713
Blood ketone body increased	34.69	14.92	10	9182	528	42611615
Hypokalaemia	32.91	14.92	57	9135	71664	42540479
Scleroderma renal crisis	32.23	14.92	9	9183	423	42611720
Klebsiella infection	31.03	14.92	23	9169	11309	42600834
Cardiac failure congestive	30.47	14.92	61	9131	85541	42526602
Myocardial infarction	30.25	14.92	76	9116	123933	42488210
Renal failure	27.94	14.92	81	9111	143645	42468498
Kidney small	24.56	14.92	5	9187	58	42612085
Hypertensive crisis	24.17	14.92	19	9173	10187	42601956
Oral mucosal exfoliation	23.39	14.92	6	9186	203	42611940
Cerebrovascular accident	23.11	14.92	59	9133	97101	42515042
Perioral dermatitis	22.67	14.92	6	9186	230	42611913
Coronary artery disease	22.45	14.92	41	9151	53679	42558464
Blood creatinine increased	22.34	14.92	63	9129	109940	42502203
Hirsutism	21.57	14.92	6	9186	278	42611865
Gingival oedema	20.67	14.92	4	9188	35	42612108
Long QT syndrome	20.26	14.92	11	9181	3156	42608987
Gingival hypertrophy	19.98	14.92	10	9182	2429	42609714
Off label use	19.90	14.92	71	9121	638264	41973879
Indifference	19.67	14.92	5	9187	163	42611980
Pulmonary hypertensive crisis	18.62	14.92	5	9187	203	42611940
Hypotension	18.17	14.92	106	9086	257525	42354618
Pulmonary hypoplasia	18.06	14.92	6	9186	508	42611635
Vascular resistance systemic decreased	16.99	14.92	4	9188	94	42612049
Reaction to excipient	16.57	14.92	6	9186	656	42611487
Loss of consciousness	15.99	14.92	50	9142	92304	42519839
Arrhythmia	15.87	14.92	30	9162	40287	42571856
Renal impairment	15.81	14.92	56	9136	110172	42501971
Vitamin B12 deficiency	15.79	14.92	11	9181	4911	42607232
Renal failure neonatal	15.66	14.92	4	9188	133	42612010
Cardiac failure	15.08	14.92	54	9138	106802	42505341

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Cardiac failure congestive	110.30	13.65	133	18926	150867	110419373
Segmental diverticular colitis	97.19	13.65	18	19041	156	110570084
Pedal pulse abnormal	90.83	13.65	18	19041	230	110570010
Myocardial infarction	82.55	13.65	131	18928	191952	110378288
Calcium ionised decreased	73.12	13.65	18	19041	648	110569592
Cyanosis	66.80	13.65	49	19010	29692	110540548
Toxic epidermal necrolysis	64.23	13.65	63	18996	56664	110513576
Reduced facial expression	64.04	13.65	24	19035	3627	110566613
Feeding intolerance	62.85	13.65	18	19041	1166	110569074
Renal failure	60.86	13.65	126	18933	226448	110343792
Hyponatraemia	59.59	13.65	122	18937	217531	110352709
Dermatitis exfoliative	53.89	13.65	30	19029	11317	110558923
Hypokalaemia	53.19	13.65	105	18954	182343	110387897
Drug interaction	52.35	13.65	197	18862	499986	110070254
Cardiac failure	52.33	13.65	106	18953	187520	110382720
Listless	52.31	13.65	22	19037	4493	110565747
Restlessness	51.96	13.65	56	19003	56203	110514037
Head discomfort	51.22	13.65	35	19024	18965	110551275
Hypotension	49.68	13.65	200	18859	523649	110046591
Scleroderma renal crisis	48.85	13.65	14	19045	909	110569331
Apathy	48.79	13.65	32	19027	16207	110554033
Blood pressure abnormal	48.23	13.65	36	19023	22388	110547852
Insulin autoimmune syndrome	47.21	13.65	13	19046	729	110569511
Hypertensive crisis	45.57	13.65	36	19023	24336	110545904
Cerebrovascular accident	45.39	13.65	98	18961	181186	110389054
Joint swelling	44.13	13.65	11	19048	442834	110127406
Coronary artery disease	44.10	13.65	58	19001	71632	110498608
Self-injurious ideation	43.19	13.65	19	19040	4327	110565913
Angioedema	42.03	13.65	67	18992	98433	110471807
Multiple organ dysfunction syndrome	41.45	13.65	85	18974	151625	110418615
Labile hypertension	40.46	13.65	11	19048	588	110569652
Blood creatinine increased	40.34	13.65	94	18965	182795	110387445
Gastrointestinal sounds abnormal	40.23	13.65	20	19039	5998	110564242
Foreign body	39.47	13.65	16	19043	2979	110567261
Off label use	38.91	13.65	131	18928	1500054	109070186
Dehydration	38.76	13.65	121	18938	279390	110290850
Klebsiella infection	36.22	13.65	29	19030	19980	110550260
Electrolyte imbalance	36.21	13.65	38	19021	36990	110533250
Prescription drug used without a prescription	35.96	13.65	18	19041	5478	110564762
Infusion related reaction	33.37	13.65	12	19047	381150	110189090
Acute myocardial infarction	33.04	13.65	55	19004	83722	110486518
Immobile	32.90	13.65	19	19040	7683	110562557
Occupational exposure to product	32.51	13.65	10	19049	829	110569411
Abdominal discomfort	31.85	13.65	14	19045	393844	110176396
Atrial fibrillation	31.44	13.65	99	18960	229543	110340697
Renal impairment	31.28	13.65	87	18972	188358	110381882
Lower respiratory tract infection	31.03	13.65	3	19056	243103	110327137
Hyperthyroidism	30.36	13.65	31	19028	29230	110541010
Wound	29.64	13.65	3	19056	234434	110335806
Bradycardia	29.04	13.65	75	18984	155442	110414798
Nasopharyngitis	28.89	13.65	16	19043	394345	110175895
Rheumatoid arthritis	28.77	13.65	8	19051	299605	110270635
Cholecystitis	27.91	13.65	28	19031	25854	110544386
Left ventricular hypertrophy	27.90	13.65	21	19038	13223	110557017
Blood ketone body increased	27.82	13.65	9	19050	879	110569361
Affect lability	27.49	13.65	24	19035	18613	110551627
Loss of consciousness	27.21	13.65	85	18974	196221	110374019
Blood urea increased	27.12	13.65	40	19019	54917	110515323
Pelvic fracture	26.66	13.65	21	19038	14133	110556107
Cognitive disorder	26.25	13.65	51	19008	87460	110482780
Pulmonary hypoplasia	26.09	13.65	5	19054	53	110570187
Maternal exposure during pregnancy	26.02	13.65	6	19053	254877	110315363
Cholelithiasis	25.49	13.65	42	19017	63380	110506860
Bedridden	25.46	13.65	20	19039	13405	110556835
Gingival hypertrophy	24.90	13.65	13	19046	4318	110565922
Alopecia	23.69	13.65	17	19042	364736	110205504
Drug reaction with eosinophilia and systemic symptoms	23.60	13.65	47	19012	82048	110488192
Pulmonary oedema	23.57	13.65	53	19006	100606	110469634
Skin test positive	23.51	13.65	9	19050	1440	110568800
Renal injury	23.48	13.65	22	19037	18691	110551549
Fatigue	23.44	13.65	119	18940	1215839	109354401
Posterior reversible encephalopathy syndrome	23.35	13.65	29	19030	33832	110536408
Arrhythmia	22.66	13.65	42	19017	69533	110500707
Rhabdomyolysis	22.41	13.65	58	19001	120343	110449897
Completed suicide	22.30	13.65	7	19052	242374	110327866
Cross sensitivity reaction	21.85	13.65	13	19046	5554	110564686
Laryngeal oedema	21.66	13.65	16	19043	9791	110560449
Impaired healing	21.38	13.65	4	19055	196713	110373527
Indifference	21.28	13.65	6	19053	367	110569873
Cardio-respiratory arrest	20.74	13.65	55	19004	115781	110454459
Arthropathy	20.57	13.65	12	19047	287510	110282730
Sinusitis	20.37	13.65	13	19046	296675	110273565
Oligohydramnios	20.18	13.65	11	19048	3983	110566257
COVID-19 treatment	20.00	13.65	6	19053	457	110569783
Ventricular extrasystoles	19.96	13.65	22	19037	22619	110547621
Haemodynamic instability	19.77	13.65	22	19037	22866	110547374
Stomatitis	19.73	13.65	11	19048	270231	110300009
Lactic acidosis	19.68	13.65	47	19012	92764	110477476
Syncope	19.67	13.65	78	18981	202458	110367782
Swelling	19.54	13.65	19	19040	351022	110219218
Blood potassium decreased	19.32	13.65	34	19025	54080	110516160
Therapeutic product effect decreased	19.25	13.65	9	19050	244307	110325933
Blood potassium increased	19.06	13.65	26	19033	33223	110537017
Long QT syndrome	18.92	13.65	13	19046	7105	110563135
Pain	18.63	13.65	93	18966	954862	109615378
Kidney small	18.53	13.65	5	19054	260	110569980
Elastosis perforans	18.38	13.65	3	19056	11	110570229
Drug intolerance	18.34	13.65	26	19033	406486	110163754
Musculoskeletal stiffness	18.22	13.65	13	19046	279809	110290431
Arthralgia	18.18	13.65	71	18988	779561	109790679
Acute kidney injury	18.10	13.65	178	18881	635252	109934988
Hyperkalaemia	18.07	13.65	58	19001	135738	110434502
Circulatory collapse	17.99	13.65	29	19030	42964	110527276
Treatment failure	17.89	13.65	13	19046	277221	110293019
Wheezing	17.77	13.65	11	19048	255219	110315021
Migraine	17.60	13.65	4	19055	171648	110398592
Pulmonary hypertension	17.57	13.65	33	19026	55187	110515053
Psoriatic arthropathy	17.54	13.65	6	19053	196755	110373485
Gingival oedema	17.39	13.65	4	19055	107	110570133
Perioral dermatitis	17.39	13.65	6	19053	715	110569525
Cardiac failure acute	17.21	13.65	21	19038	24057	110546183
Tongue oedema	17.19	13.65	13	19046	8243	110561997
Respiratory disorder	17.18	13.65	38	19021	71344	110498896
Extrasystoles	17.10	13.65	13	19046	8305	110561935
Blood pressure decreased	17.02	13.65	51	19008	115040	110455200
Angiopathy	16.54	13.65	13	19046	8717	110561523
Hyperplasia	16.27	13.65	7	19052	1511	110568729
Nodal rhythm	16.12	13.65	9	19050	3414	110566826
Abnormal behaviour	15.89	13.65	26	19033	39013	110531227
Apraxia	15.83	13.65	9	19050	3531	110566709
Pulmonary hypertensive crisis	15.83	13.65	5	19054	452	110569788
Respiratory failure	15.63	13.65	76	18983	215256	110354984
Haemorrhagic necrotic pancreatitis	15.54	13.65	4	19055	173	110570067
Hypoacusis	15.09	13.65	24	19035	35167	110535073
Hepatic enzyme increased	14.99	13.65	20	19039	320872	110249368
Blood sodium decreased	14.89	13.65	25	19034	38294	110531946
Injection site pain	14.89	13.65	6	19053	177916	110392324
Oxygen saturation decreased	14.87	13.65	60	18999	156922	110413318
Dermatitis contact	14.87	13.65	15	19044	13938	110556302
Dry mouth	14.80	13.65	8	19051	199940	110370300
Progressive supranuclear palsy	14.60	13.65	4	19055	220	110570020
Shock	14.59	13.65	30	19029	53558	110516682
Metabolic acidosis	14.56	13.65	44	19015	99700	110470540
Vascular stent thrombosis	14.49	13.65	9	19050	4152	110566088
Intentional product use issue	14.28	13.65	13	19046	247893	110322347
Encephalopathy	14.01	13.65	38	19021	81017	110489223
Vascular resistance systemic decreased	13.92	13.65	4	19055	262	110569978
Orthopnoea	13.91	13.65	13	19046	11008	110559232
Sudden death	13.87	13.65	19	19040	24376	110545864
Localised oedema	13.85	13.65	12	19047	9211	110561029
Hyperglycaemia	13.83	13.65	39	19020	85051	110485189
Respiratory distress	13.66	13.65	34	19025	68840	110501400

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	C09AA01	CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, PLAIN ACE inhibitors, plain
ATC	C09BA01	CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and diuretics
FDA MoA	N0000000181	Angiotensin-converting Enzyme Inhibitors
FDA EPC	N0000175562	Angiotensin Converting Enzyme Inhibitor
CHEBI has role	CHEBI:22587	antiviral agent
CHEBI has role	CHEBI:33281	antimicrobial agent
CHEBI has role	CHEBI:35457	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
CHEBI has role	CHEBI:35526	hypoglycemic agent
CHEBI has role	CHEBI:35554	cardiovascular drug
CHEBI has role	CHEBI:35610	antineoplastic agent
CHEBI has role	CHEBI:35674	antihypertensive agent
CHEBI has role	CHEBI:233423	antifibrotic agent
MeSH PA	D000806	Angiotensin-Converting Enzyme Inhibitors
MeSH PA	D000959	Antihypertensive Agents
MeSH PA	D002317	Cardiovascular Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D011480	Protease Inhibitors

Related Drugs by ATC class:

C09AA ACE inhibitors, plain 15 drugs

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C09BA ACE inhibitors and diuretics 11 drugs

benazepril cilazapril delapril enalapril fosinopril lisinopril moexipril perindopril quinapril ramipril zofenopril

Drug Use | Suggest Off label Use Form| |View source of the data|

Disease	Relation	SNOMED_ID	DOID
Hypertensive disorder	indication	38341003	DOID:10763
Chronic heart failure	indication	48447003
Diabetic renal disease	indication	127013003
Left ventricular cardiac dysfunction	indication	429589006
Atrial fibrillation	off-label use	49436004	DOID:0060224
Cystinuria	off-label use	85020001	DOID:9266
Diastolic heart failure	off-label use	418304008	DOID:9775
Cystine Renal Calculi	off-label use
Nondiabetic Proteinuric Nephropathy	off-label use
Anuria	contraindication	2472002	DOID:2983
Hypercholesterolemia	contraindication	13644009
Hyperkalemia	contraindication	14140009
Secondary angle-closure glaucoma	contraindication	21571006
Hypovolemia	contraindication	28560003
Acute cerebrovascular insufficiency	contraindication	29322000
Dehydration	contraindication	34095006
Hyperuricemia	contraindication	35885006	DOID:1920
Immunosuppression	contraindication	38013005
Angioedema	contraindication	41291007	DOID:1558
Hypokalemia	contraindication	43339004
Low blood pressure	contraindication	45007003
Cough	contraindication	49727002
Systemic lupus erythematosus	contraindication	55464009	DOID:9074
Sympathectomy	contraindication	57071006
Aortic valve stenosis	contraindication	60573004	DOID:1712
Hypercalcemia	contraindication	66931009	DOID:12678
Hyperparathyroidism	contraindication	66999008	DOID:13543
Hypochloremic alkalosis	contraindication	70134007
Hepatic coma	contraindication	72836002	DOID:12550
Diabetes mellitus	contraindication	73211009	DOID:9351
Transplantation	contraindication	77465005
Hereditary angioneurotic edema	contraindication	82966003	DOID:14735
Hyponatremia	contraindication	89627008
Gout	contraindication	90560007	DOID:13189
Kidney disease	contraindication	90708001	DOID:557
Disorder of connective tissue	contraindication	105969002	DOID:65
Hypomagnesemia	contraindication	190855004
Acute pancreatitis	contraindication	197456007	DOID:2913
Hypertrophic cardiomyopathy	contraindication	233873004	DOID:11984
Disease of liver	contraindication	235856003	DOID:409
Neonatal hyperbilirubinemia	contraindication	281610001
Pregnancy, function	contraindication	289908002
Renal artery stenosis	contraindication	302233006
Neutropenic disorder	contraindication	303011007	DOID:1227
Bone marrow depression	contraindication	307762000
Azotemia	contraindication	445009001
Hemodialysis with High-Flux Membrane	contraindication

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	3.85	acidic
pKa2	9.56	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Angiotensin-converting enzyme	Enzyme	P12821	ACE_HUMAN	INHIBITOR	Ki	8.70	WOMBAT-PK	CHEMBL
Prostaglandin G/H synthase 1	Enzyme	P23219	PGH1_HUMAN		Ki	4.77	CHEMBL
Prothrombin	Enzyme	P00734	THRB_HUMAN		Ki	7.32	CHEMBL
Renin	Enzyme	P00797	RENI_HUMAN		Ki	8.77	CHEMBL
Leukotriene A-4 hydrolase	Enzyme	P09960	LKHA4_HUMAN		IC50	7.15	CHEMBL
Prostaglandin G/H synthase 2	Enzyme	P35354	PGH2_HUMAN		Ki	4.92	CHEMBL
Angiotensin-converting enzyme	Enzyme		ACE_RABIT		Ki	8.77	CHEMBL
Angiotensin-converting enzyme	Enzyme		ACE_RAT		Ki	8.70	CHEMBL
Succinyl-diaminopimelate desuccinylase	Enzyme		DAPE_HAEIN		Ki	5.74	CHEMBL
Beta-lactamase	Enzyme		Q79MP6_PSEAI		Ki	5.62	CHEMBL
Beta-lactamase II	Enzyme		Q93T40_BACAN		Ki	4.75	CHEMBL
Beta-lactamase class B VIM-2	Enzyme		Q9K2N0_PSEAI		Kd	6.22	CHEMBL
Beta-lactamase NDM-1	Enzyme		BLAN1_KLEPN		Kd	4.85	CHEMBL

External reference:

ID	Source
4017614	VUID
N0000145994	NUI
D00251	KEGG_DRUG
1998	RXNORM
C0006938	UMLSCUI
CHEBI:3380	CHEBI
X8Z	PDB_CHEM_ID
CHEMBL1560	ChEMBL_ID
DB01197	DRUGBANK_ID
D002216	MESH_DESCRIPTOR_UI
44093	PUBCHEM_CID
5158	IUPHAR_LIGAND_ID
4373	INN_ID
9G64RSX1XD	UNII
4347	MMSL
455	MMSL
d00006	MMSL
29439004	SNOMEDCT_US
387160004	SNOMEDCT_US
4017614	VANDF
000656	NDDF
9G64RSX1XD	INXIGHT DRUGS

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0143-1171	TABLET	12.50 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0143-1172	TABLET	25 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0143-1173	TABLET	50 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0143-1174	TABLET	100 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0904-7105	TABLET	12.50 mg	ORAL	ANDA	12 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	0904-7106	TABLET	25 mg	ORAL	ANDA	12 sections
captopril	HUMAN PRESCRIPTION DRUG LABEL	1	10135-791	TABLET	12.50 mg	ORAL	ANDA	25 sections
captopril	HUMAN PRESCRIPTION DRUG LABEL	1	10135-792	TABLET	25 mg	ORAL	ANDA	25 sections
captopril	HUMAN PRESCRIPTION DRUG LABEL	1	10135-793	TABLET	50 mg	ORAL	ANDA	25 sections
CAPTOPRIL	HUMAN PRESCRIPTION DRUG LABEL	1	10544-175	TABLET	50 mg	ORAL	ANDA	19 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	11788-135	TABLET	12.50 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	11788-136	TABLET	25 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	11788-137	TABLET	50 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	11788-138	TABLET	100 mg	ORAL	ANDA	22 sections
CAPTOPRIL AND HYDROCHLOROTHIAZIDE	Human Prescription Drug Label	2	16571-827	TABLET	25 mg	ORAL	ANDA	22 sections
CAPTOPRIL AND HYDROCHLOROTHIAZIDE	Human Prescription Drug Label	2	16571-828	TABLET	25 mg	ORAL	ANDA	22 sections
CAPTOPRIL AND HYDROCHLOROTHIAZIDE	Human Prescription Drug Label	2	16571-829	TABLET	50 mg	ORAL	ANDA	22 sections
CAPTOPRIL AND HYDROCHLOROTHIAZIDE	Human Prescription Drug Label	2	16571-830	TABLET	50 mg	ORAL	ANDA	22 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	21695-477	TABLET	25 mg	ORAL	ANDA	24 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	21695-478	TABLET	50 mg	ORAL	ANDA	24 sections
Captopril	Human Prescription Drug Label	1	27241-160	TABLET	12.50 mg	ORAL	ANDA	12 sections
Captopril	Human Prescription Drug Label	1	27241-161	TABLET	25 mg	ORAL	ANDA	12 sections
Captopril	Human Prescription Drug Label	1	27241-162	TABLET	50 mg	ORAL	ANDA	12 sections
Captopril	Human Prescription Drug Label	1	27241-163	TABLET	100 mg	ORAL	ANDA	12 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	31722-141	TABLET	12.50 mg	ORAL	ANDA	24 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	31722-142	TABLET	25 mg	ORAL	ANDA	24 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	31722-143	TABLET	50 mg	ORAL	ANDA	24 sections
Captopril	HUMAN PRESCRIPTION DRUG LABEL	1	31722-144	TABLET	100 mg	ORAL	ANDA	24 sections
CAPTOPRIL	HUMAN PRESCRIPTION DRUG LABEL	1	33261-182	TABLET	50 mg	ORAL	ANDA	19 sections
CAPTOPRIL	HUMAN PRESCRIPTION DRUG LABEL	1	33261-536	TABLET	100 mg	ORAL	ANDA	19 sections

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captopril 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: