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

General Information of Drug (ID: DR1629)
Drug Name
AK-602
Synonyms Trastuzumab emtansine; GW-873140; SCHEMBL20530710
Indication Human immunodeficiency virus infection [ICD11: 1C60] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 483.5 Topological Polar Surface Area 121
Heavy Atom Count 36 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
135353969
TTD Drug ID
D0UG0K
Formula
C25H21N7O4
Canonical SMILES
CC1=CC(=NO1)C2=NN=C3N2N=C(C4=CC=CC=C43)OCC5=NC=C(C=C5)C(=O)N6CC7CC6CO7
InChI
1S/C25H21N7O4/c1-14-8-21(30-36-14)23-28-27-22-19-4-2-3-5-20(19)24(29-32(22)23)35-12-16-7-6-15(10-26-16)25(33)31-11-18-9-17(31)13-34-18/h2-8,10,17-18H,9,11-13H2,1H3
InChIKey
WISMPDBQEVMXPG-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
AK-602 Metabolite A1 DM004180 N. A. Hydrolysis - Hydrolyzation 1 [5]
AK-602 Metabolite A2 DM004182
11343137
Unclear 1 [5]
AK-602 Metabolite A3 DM004181 N. A. Hydrolysis - Hydrolyzation 1 [5]
AK-602 Metabolite A4 DM004178 N. A. Unclear 1 [5]
AK-602 Metabolite A5 DM004179 N. A. Unclear 2 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012936 AK-602 AK-602 Metabolite A4 Unclear Unclear [5]
MR012938 AK-602 AK-602 Metabolite A1 Hydrolysis - Hydrolyzation Unclear [5]
MR012939 AK-602 AK-602 Metabolite A3 Hydrolysis - Hydrolyzation Unclear [5]
MR012940 AK-602 AK-602 Metabolite A2 Unclear Unclear [5]
MR012937 AK-602 Metabolite A4 AK-602 Metabolite A5 Unclear Unclear [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldo-keto reductase 1C1 (AKR1C1) DME0197 Homo sapiens
AK1C1_HUMAN
1.1.1.149
[2]
Aldo-keto reductase 1C2 (AKR1C2) DME0233 Homo sapiens
AK1C2_HUMAN
1.1.1.357
[2]
Aldo-keto reductase 1C3 (AKR1C3) DME0118 Homo sapiens
AK1C3_HUMAN
1.1.1.357
[2]
Aldo-keto reductase 1C4 (AKR1C4) DME0198 Homo sapiens
AK1C4_HUMAN
1.1.1.357
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[4]
NADPH-dependent carbonyl reductase 3 (CBR3) DME0068 Homo sapiens
CBR3_HUMAN
1.1.1.184
[2]
⏷ Show the Full List of 7  DME(s)
References
1 ClinicalTrials.gov (NCT01702571) A Study of Trastuzumab Emtansine in Participants With Human Epidermal Growth Factor Receptor 2 (HER2)-Positive Breast Cancer Who Have Received Prior Anti-HER2 And Chemotherapy-based Treatment.
2 The role of carbonyl reducing enzymes in oxcarbazepine in vitro metabolism in man. Chem Biol Interact. 2014 Sep 5;220:241-7.
3 Drug-Drug interactions of clinical significance in the treatment of patients with Mycobacterium avium complex disease. Clin Pharmacokinet. 2000 Sep;39(3):203-14.
4 Trastuzumab emtansine. An inadequately assessed combination of two cytotoxic drugs. Prescrire Int. 2014 Dec;23(155):289.
5 U. S. FDA Label -AK-602

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