Tox | Related Drugs | BioActivity |

Stem definition	Drug id	CAS RN
anti-inflammatory agents, ibuprofen derivatives	833	22161-81-5

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: dexketoprofen trometamol dexketoprofen (S)-Ketoprofen (+)-Ketoprofen	a water-soluble tromethamine salt of the racemic ketoprofen, rac(+-)-ketoprofen Molecular weight: 254.29 Formula: C16H14O3 CLOGP: 2.76 LIPINSKI: 0 HAC: 3 HDO: 1 TPSA: 54.37 ALOGS: -4.08 ROTB: 4

Molecule

Description

Molfile Inchi Smiles

Synonyms:

dexketoprofen trometamol
dexketoprofen
(S)-Ketoprofen
(+)-Ketoprofen

a water-soluble tromethamine salt of the racemic ketoprofen, rac(+-)-ketoprofen

Molecular weight: 254.29
Formula: C16H14O3
CLOGP: 2.76
LIPINSKI: 0
HAC: 3
HDO: 1
TPSA: 54.37
ALOGS: -4.08
ROTB: 4

Drug dosage:

Dose	Unit	Route
75	mg	O
75	mg	P

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Confidence	Similarity
kinase-safety-class	ACVR2B,EIF2AK3,GRK2,PDK1,PDK2,PDK4	6
kinase-selectivity-class	AXL,EIF2AK3,GRK2,PDK4,PIK3CD	5
mdck-mdr1-bcrp-efflux	MDCK-MDR1-BCRP efflux ratio	1.574	High	1
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pld-class	Phospholipidosis risk class (1 = positive, 0 = negative)	0	High	1

Approvals:

None

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
Tubulointerstitial nephritis	119.50	32.88	38	2169	25305	90600935
Pancreatic failure	81.50	32.88	16	2191	1476	90624764
Acute kidney injury	68.77	32.88	59	2148	320328	90305912
Drug interaction	67.79	32.88	55	2152	276398	90349842
Angioedema	63.05	32.88	31	2176	64845	90561395
Coagulopathy	62.84	32.88	23	2184	23266	90602974
Hepatic cytolysis	59.96	32.88	24	2183	30892	90595348
Hyperbilirubinaemia	53.89	32.88	18	2189	13918	90612322
Hepatic perfusion disorder	51.36	32.88	7	2200	62	90626178
Lichen planus	45.05	32.88	11	2196	2780	90623460
Neutrophil toxic granulation present	44.69	32.88	7	2200	172	90626068
Toxicity to various agents	38.69	32.88	41	2166	287805	90338435
Hyperamylasaemia	36.89	32.88	7	2200	539	90625701
Anaphylactic reaction	36.35	32.88	24	2183	87500	90538740
Jaundice	35.98	32.88	17	2190	32500	90593740

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
Hyperaesthesia	123.04	30.45	32	1801	5920	42613582
Quality of life decreased	101.96	30.45	27	1806	5349	42614153
Polyneuropathy in malignant disease	87.57	30.45	15	1818	361	42619141
Allodynia	71.58	30.45	15	1818	1079	42618423
Sleep deficit	50.52	30.45	11	1822	948	42618554
Metastases to lung	47.39	30.45	18	1815	11406	42608096
Acute kidney injury	44.86	30.45	66	1767	367271	42252231
Application site pain	40.82	30.45	11	1822	2318	42617184
Dermatitis allergic	37.48	30.45	14	1819	8469	42611033
Application site erythema	35.20	30.45	10	1823	2556	42616946
Drug dependence	34.02	30.45	19	1814	29075	42590427
Metastases to bone	33.08	30.45	15	1818	14794	42604708

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
Acute kidney injury	109.78	26.12	125	3922	635305	109949947
Hyperaesthesia	99.35	26.12	32	4015	14695	110570557
Tubulointerstitial nephritis	91.41	26.12	43	4004	54241	110531011
Polyneuropathy in malignant disease	85.65	26.12	15	4032	486	110584766
Drug interaction	85.53	26.12	98	3949	500085	110085167
Quality of life decreased	84.30	26.12	28	4019	14141	110571111
Hyperbilirubinaemia	76.45	26.12	32	4015	30639	110554613
Pancreatic failure	67.71	26.12	16	4031	2338	110582914
Allodynia	64.34	26.12	15	4032	2068	110583184
Hepatic cytolysis	64.22	26.12	34	4013	55019	110530233
Angioedema	62.46	26.12	41	4006	98459	110486793
Coagulopathy	55.59	26.12	28	4019	40883	110544369
Hypocoagulable state	50.97	26.12	13	4034	2602	110582650
Hepatic perfusion disorder	48.40	26.12	7	4040	63	110585189
Sleep deficit	45.43	26.12	11	4036	1781	110583471
Drug reaction with eosinophilia and systemic symptoms	42.13	26.12	30	4017	82065	110503187
Hyperkalaemia	40.38	26.12	36	4011	135760	110449492
Neutrophil toxic granulation present	39.55	26.12	7	4040	241	110585011
Hepatitis cholestatic	39.35	26.12	17	4030	17549	110567703
Metastases to lung	37.96	26.12	18	4029	23045	110562207
Application site pain	33.23	26.12	11	4036	5488	110579764
Dermatitis allergic	32.86	26.12	16	4031	21708	110563544
Toxicity to various agents	32.69	26.12	61	3986	480494	110104758
Upper gastrointestinal haemorrhage	32.09	26.12	21	4026	50075	110535177
Hepatocellular injury	31.88	26.12	21	4026	50621	110534631
Bradyphrenia	31.79	26.12	13	4034	11715	110573537
Lichen planus	29.64	26.12	9	4038	3401	110581851
Intentional overdose	29.60	26.12	30	4017	132471	110452781
Application site erythema	29.08	26.12	10	4037	5600	110579652
Hyperamylasaemia	28.43	26.12	7	4040	1214	110584038
Drug dependence	27.32	26.12	19	4028	50001	110535251
Fracture displacement	27.13	26.12	7	4040	1465	110583787
Urea renal clearance decreased	27.10	26.12	4	4043	42	110585210
Metabolic acidosis	26.81	26.12	25	4022	99719	110485533
Glaucoma	26.50	26.12	14	4033	22503	110562749
Benign prostatic hyperplasia	26.29	26.12	13	4034	18221	110567031
Chronic kidney disease	26.25	26.12	22	4025	76269	110508983

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

Source	Code	Description
ATC	M01AE17	MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives
ATC	M02AA27	MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use
ATC	N02AJ14	NERVOUS SYSTEM ANALGESICS OPIOIDS Opioids in combination with non-opioid analgesics
MeSH PA	D000700	Analgesics
MeSH PA	D000893	Anti-Inflammatory Agents
MeSH PA	D000894	Anti-Inflammatory Agents, Non-Steroidal
MeSH PA	D018373	Peripheral Nervous System Agents
MeSH PA	D018501	Antirheumatic Agents
MeSH PA	D018689	Sensory System Agents
MeSH PA	D018712	Analgesics, Non-Narcotic
CHEBI has role	CHEBI:35475	non-steroidal anti-inflammatory drug
CHEBI has role	CHEBI:35480	analgesic
CHEBI has role	CHEBI:35481	non-narcotic analgesic
CHEBI has role	CHEBI:50629	cyclooxygenase 2 inhibitor
CHEBI has role	CHEBI:50630	cyclooxygenase 1 inhibitor
CHEBI has role	CHEBI:73336	vulnerary

Related Drugs by ATC class:

M01AE Propionic acid derivatives 21 drugs

alminoprofen benoxaprofen dexibuprofen diphenhydramine esomeprazole fenbufen fenoprofen flunoxaprofen flurbiprofen ibuprofen ibuproxam indoprofen show all 21 →

M02AA Antiinflammatory preparations, non-steroids for topical use 28 drugs

aceclofenac bendazac benzydamine bufexamac clofezone diclofenac esflurbiprofen etofenamate felbinac fentiazac feprazone flurbiprofen show all 28 →

N02AJ Opioids in combination with non-opioid analgesics 9 drugs

acetylsalicylic acid celecoxib codeine dihydrocodeine hydrocodone ibuprofen oxycodone paracetamol tramadol

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

None

🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.28	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])	Mechanism action	Bioact source	MoA source
Prostaglandin G/H synthase 2	Enzyme	P35354	PGH2_HUMAN	INHIBITOR	IC50	7.57		CHEMBL	KEGG DRUG
Prostaglandin G/H synthase 1	Enzyme	P23219	PGH1_HUMAN	INHIBITOR	IC50	8.72		CHEMBL	KEGG DRUG

External reference:

ID	Source
6KD9E78X68	UNII
D07269	KEGG_DRUG
233386	RXNORM
C0772505	UMLSCUI
CHEBI:76128	CHEBI
9KL	PDB_CHEM_ID
CHEMBL75435	ChEMBL_ID
667550	PUBCHEM_CID
DB09214	DRUGBANK_ID
7120	INN_ID
C118296	MESH_SUPPLEMENTAL_RECORD_UI
007781	NDDF
007782	NDDF
329961001	SNOMEDCT_US
396018005	SNOMEDCT_US
427618005	SNOMEDCT_US
6KD9E78X68	INXIGHT DRUGS

Pharmaceutical products:

None

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dexketoprofen 🐶 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: