Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1766)
Drug Name
Carprofen
Synonyms
Carprofene; Carprofene [INN-French]; Carprofeno; Carprofeno [INN-Spanish]; Carprofeno [Spanish]; Carprofenum; Carprofenum [INN-Latin]; Imadyl; Ridamyl; Rimadyl; Ro 20-5720; Ro 20-5720/000; carprofen; (+-)-6-Chloro-alpha-methylcarbazole-2-acetic acid; 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid; 53716-49-7; 6-Chloro-alpha-methyl-9H-carbazole-2-acetic acid; 6-Chloro-alpha-methylcarbazole-2-acetic acid; BRN 0487098; C 5720; C15H12ClNO2; CCRIS 3507; CHEBI:364453; CHEMBL1316; EINECS 258-712-4; MFCD00079028; NSC 297935
Indication Anaesthesia [ICD11: 8E22] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 273.71 Topological Polar Surface Area 53.1
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
2581
PubChem SID
147404 ; 224736 ; 7387300 ; 8151706 ; 11372077 ; 11374733 ; 11484848 ; 11489052 ; 11490754 ; 11492852 ; 12013355 ; 14824217 ; 17397550 ; 24860673 ; 25623932 ; 26612250 ; 26679932 ; 26748565 ; 26748566 ; 29221741 ; 46505357 ; 48110633 ; 49901603 ; 49901604 ; 50085988 ; 51138619 ; 57321383 ; 57648952 ; 85174420 ; 85556037 ; 92124308 ; 92307546 ; 92719046 ; 99215020 ; 103159169 ; 103409544 ; 103994678 ; 104301004 ; 117843310 ; 124489038 ; 124636988 ; 124801035 ; 125324613 ; 125352521 ; 126621128 ; 126653073 ; 126670260 ; 128971698 ; 131317931 ; 131813290
ChEBI ID
CHEBI:364453
CAS Number
53716-49-7
TTD Drug ID
D0IT2X
Formula
C15H12ClNO2
Canonical SMILES
CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O
InChI
1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChIKey
PUXBGTOOZJQSKH-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Carprofen glucuronide DM000733
10321502
Conjugation - Glucuronidation 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000563 Carprofen Carprofen glucuronide Conjugation - Glucuronidation UGT2B7 [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 Carprofen was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Enantioselective inhibition of carprofen towards UDP-glucuronosyltransferase (UGT) 2B7. Chirality. 2015 Mar;27(3):189-93.
3 The pharmacokinetics and metabolism of 14C-carprofen in man Biopharm Drug Dispos. 1982 Jan-Mar;3(1):29-38. doi: 10.1002/bdd.2510030105.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.