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

General Information of Drug (ID: DR0132)
Drug Name
Argatroban
Synonyms
Argatroban Injection; Argatroban [INN:JAN]; Argatroban anhydrous; Argatrobanum [Latin]; DK-7419; Argatroban In Sodium Chloride; GN-1600; MCI 9038; MCI-9038; MD 805; MD-805; Novastan; Slonnon; argatroban; (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid; (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid; 74863-84-6; Acova; C23H36N6O5S; CHEMBL1166
Indication Thrombosis [ICD11: DB61] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 508.6 Topological Polar Surface Area 189
Heavy Atom Count 35 Rotatable Bond Count 9
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
92722
PubChem SID
14786817 ; 14786818 ; 26719855 ; 44423523 ; 46386718 ; 49681688 ; 50015606 ; 50111795 ; 76329972 ; 87225383 ; 92308497 ; 92309228 ; 103072462 ; 103079898 ; 103339406 ; 103945452 ; 104408187 ; 117541869 ; 123120899 ; 124658931 ; 125311690 ; 126664536 ; 128449126 ; 135062360 ; 136379666 ; 152059031 ; 152212228 ; 160814640 ; 162011683 ; 162178885 ; 162254934 ; 163089948 ; 163670117 ; 164788049 ; 172080306 ; 174006836 ; 174473281 ; 174530566 ; 175607554 ; 176484535 ; 178103001 ; 179116564 ; 179295943 ; 179323694 ; 184643919 ; 184816446 ; 198993723 ; 203355751 ; 204433880 ; 210279520
ChEBI ID
CHEBI:94385
CAS Number
74863-84-6
TTD Drug ID
D07UWV
Formula
C23H36N6O5S
Canonical SMILES
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChI
1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
InChIKey
KXNPVXPOPUZYGB-IOVMHBDKSA-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
Argatroban metabolite M1 DM001741
10962209
Unclear 1 [3]
Argatroban metabolite M2 DM001742 N. A. Unclear 1 [3]
Argatroban metabolite M3 DM001743 N. A. Unclear 1 [3]
Argatroban metabolite M4 DM001744
86278237
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000284 Argatroban Argatroban metabolite M1 Unclear Unclear [3]
MR000285 Argatroban Argatroban metabolite M2 Unclear Unclear [3]
MR000286 Argatroban Argatroban metabolite M3 Unclear Unclear [3]
MR000287 Argatroban Argatroban metabolite M4 Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 Argatroban was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Assessment of the potential pharmacokinetic and pharmacodynamic interactions between erythromycin and argatroban. J Clin Pharmacol. 1999 May;39(5):513-9.
3 Simultaneous monitoring of argatroban and its major metabolite using an HPLC method: potential clinical applications Clin Appl Thromb Hemost. 1999 Oct;5(4):252-8. doi: 10.1177/107602969900500409.

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