Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
acetylcholinesterase inhibitors	927	17299-00-2

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: BC-51 hexamarium distigmine distigmine bromide ubretid	Molecular weight: 416.52 Formula: C22H32N4O4 CLOGP: -7.11 LIPINSKI: 0 HAC: 8 HDO: 0 TPSA: 66.84 ALOGS: -6.02 ROTB: 11

Molecule

Description

Molfile Inchi Smiles

Synonyms:

BC-51
hexamarium
distigmine
distigmine bromide
ubretid

Molecular weight: 416.52
Formula: C22H32N4O4
CLOGP: -7.11
LIPINSKI: 0
HAC: 8
HDO: 0
TPSA: 66.84
ALOGS: -6.02
ROTB: 11

Drug dosage:

Dose	Unit	Route
5	mg	O
0.25	mg	P

ADMET properties:

Property	Value	Reference
BA (Bioavailability)	8 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution)	1 L/kg	Lombardo F, Berellini G, Obach RS
CL (Clearance)	0.20 mL/min/kg	Lombardo F, Berellini G, Obach RS
t_half (Half-life)	59.80 hours	Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value
kinase-safety-class	ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK	38
kinase-selectivity-class	AXL,BRAF,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MTOR,SIK2,STK33,TEK,TTK	12
pfas-class	PFAS structural alert (1 = True, 0 = False)	0

Approvals:

Date	Agency	Company	Orphan
Sept. 5, 1967	PMDA	Torii Pharmaceuticals

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
Cholinergic syndrome	49.21	35.61	8	813	688	90626938
Sleep disorder therapy	37.33	35.61	6	815	480	90627146

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
Appendicolith	588.50	110.11	174	6888	13282	42600991
Appendicitis	527.34	110.11	177	6885	20436	42593837
Cardiogenic shock	409.02	110.11	170	6892	35470	42578803
Ventricular fibrillation	408.50	110.11	162	6900	29961	42584312
Blood phosphorus increased	382.21	110.11	123	6939	12402	42601871
Stress	373.77	110.11	170	6892	44042	42570231
Ascites	357.10	110.11	178	6884	56500	42557773
Abdominal distension	334.09	110.11	184	6878	71551	42542722
Myasthenia gravis	276.47	110.11	103	6959	16034	42598239
Hyponatraemia	263.09	110.11	179	6883	101283	42512990
Multiple organ dysfunction syndrome	263.08	110.11	176	6886	96859	42517414
Blood uric acid increased	243.69	110.11	93	6969	15454	42598819
Dry mouth	223.84	110.11	116	6946	39763	42574510
Hyperphosphataemia	222.67	110.11	83	6979	12921	42601352
Blood cholesterol increased	216.74	110.11	100	6962	26641	42587632
Incorrect route of product administration	206.73	110.11	94	6968	24211	42590062
General physical health deterioration	193.75	110.11	176	6886	151070	42463203
Constipation	188.86	110.11	179	6883	162112	42452161
Hypophosphataemia	184.41	110.11	83	6979	20862	42593411
Neuralgia	180.40	110.11	87	6975	25560	42588713
Analgesic therapy	178.30	110.11	59	7003	6465	42607808
Bacterial infection	176.46	110.11	88	6974	27791	42586482
Sepsis	166.70	110.11	184	6878	199150	42415123
Iron deficiency	165.51	110.11	64	6998	10997	42603276
Sleep disorder therapy	163.33	110.11	56	7006	6838	42607435
Drug therapy	155.73	110.11	53	7009	6327	42607946
Abdominal pain	152.62	110.11	172	6890	190299	42423974
Diabetes mellitus	134.32	110.11	97	6965	59990	42554283
Swelling	121.27	110.11	88	6974	54797	42559476
Sleep disorder	117.52	110.11	82	6980	48013	42566260
Intentional product misuse	116.18	110.11	90	6972	61810	42552463
Activated partial thromboplastin time prolonged	114.95	110.11	55	7007	15848	42598425
Antacid therapy	110.47	110.11	38	7024	4679	42609594
Thrombosis	110.22	110.11	91	6971	68420	42545853

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
Appendicolith	751.37	81.45	180	7859	14075	110567185
Appendicitis	641.39	81.45	183	7856	28281	110552979
Ventricular fibrillation	512.79	81.45	168	7871	41145	110540115
Cardiogenic shock	488.79	81.45	176	7863	57162	110524098
Blood phosphorus increased	482.63	81.45	130	7909	16210	110565050
Ascites	433.01	81.45	184	7855	92624	110488636
Stress	385.15	81.45	176	7863	105172	110476088
Myasthenia gravis	360.18	81.45	110	7929	21401	110559859
Multiple organ dysfunction syndrome	346.77	81.45	184	7855	151526	110429734
Abdominal distension	338.30	81.45	190	7849	174913	110406347
Blood uric acid increased	317.90	81.45	100	7939	21429	110559831
Hyperphosphataemia	300.95	81.45	90	7949	16291	110564969
Hyponatraemia	290.01	81.45	186	7853	217467	110363793
Analgesic therapy	253.28	81.45	66	7973	7218	110574042
Hypophosphataemia	238.63	81.45	90	7949	33092	110548168
Sleep disorder therapy	237.27	81.45	63	7976	7408	110573852
Sepsis	236.58	81.45	193	7846	327153	110254107
Bacterial infection	226.74	81.45	95	7944	45941	110535319
Drug therapy	224.50	81.45	60	7979	7231	110574029
Neuralgia	222.00	81.45	95	7944	48383	110532877
Constipation	215.53	81.45	190	7849	357596	110223664
Iron deficiency	212.35	81.45	71	7968	18405	110562855
Incorrect route of product administration	211.91	81.45	100	7939	63961	110517299
Diabetes mellitus	183.86	81.45	105	7934	99276	110481984
General physical health deterioration	178.39	81.45	185	7854	425110	110156150
Antacid therapy	163.49	81.45	44	7995	5440	110575820
Activated partial thromboplastin time prolonged	161.96	81.45	61	7978	22307	110558953
Thrombosis	157.19	81.45	98	7941	108564	110472696
Dry mouth	154.96	81.45	123	7916	199825	110381435
Anticoagulant therapy	150.39	81.45	41	7998	5320	110575940
Aortic stenosis	141.40	81.45	48	7991	13011	110568249
Abdominal pain	140.34	81.45	179	7860	512810	110068450
Chronic obstructive pulmonary disease	139.37	81.45	91	7948	109067	110472193
End stage renal disease	139.09	81.45	54	7985	21419	110559841
Intentional product misuse	136.88	81.45	97	7942	132807	110448453
Blood cholesterol increased	129.02	81.45	107	7932	184678	110396582
Somnolence	123.75	81.45	129	7910	297320	110283940
Bacteroides infection	113.87	81.45	29	8010	2890	110578370
Gout	111.44	81.45	54	7985	36512	110544748
Hyperlipidaemia	103.43	81.45	51	7988	35797	110545463
Ulcer	103.01	81.45	54	7985	43062	110538198
Troponin increased	99.97	81.45	47	7992	29719	110551541
Pulmonary embolism	92.67	81.45	95	7944	214379	110366881
Total lung capacity decreased	92.39	81.45	30	8009	7084	110574176
Sleep disorder	89.48	81.45	90	7949	198554	110382706
Congenital hiatus hernia	87.85	81.45	28	8011	6231	110575029
Blood calcium increased	84.63	81.45	36	8003	18004	110563256

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	N07AA03	NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS PARASYMPATHOMIMETICS Anticholinesterases
MeSH PA	D002800	Cholinesterase Inhibitors
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D018377	Neurotransmitter Agents
MeSH PA	D018678	Cholinergic Agents
CHEBI has role	CHEBI:37733	EC 3.1.1.8 (cholinesterase) inhibitor
CHEBI has role	CHEBI:38325	muscarinic agonist

Related Drugs by ATC class:

N07AA Anticholinesterases 3 drugs

ambenonium neostigmine pyridostigmine

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

Disease	Relation	SNOMED_ID	DOID
Acute cystitis	indication	68226007	DOID:13148
Myasthenia gravis	indication	91637004	DOID:437
Difficulty passing urine	indication	102835006

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

None

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])	Mechanism action	Bioact source	MoA source
Acetylcholinesterase	Enzyme	P22303	ACES_HUMAN	INHIBITOR				KEGG DRUG	KEGG DRUG

External reference:

ID	Source
D01228	KEGG_DRUG
154982	RXNORM
C0012757	UMLSCUI
CHEMBL1199307	ChEMBL_ID
CHEMBL1098285	ChEMBL_ID
DB13694	DRUGBANK_ID
C084645	MESH_SUPPLEMENTAL_RECORD_UI
3116	PUBCHEM_CID
15876-67-2	SECONDARY_CAS_RN
T940307O7B	UNII
003959	NDDF
349943004	SNOMEDCT_US
395966008	SNOMEDCT_US
396033002	SNOMEDCT_US
CHEBI:31512	CHEBI
764	INN_ID
T940307O7B	INXIGHT DRUGS

Pharmaceutical products:

None

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distigmine 🐶 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: