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

General Information of Drug (ID: DR3451)
Drug Name
AKB-6548
Synonyms .
Indication Anaemia [ICD11: 3A90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 306.7 Topological Polar Surface Area 99.5
Heavy Atom Count 21 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
23634441
CAS Number
1000025-07-9
TTD Drug ID
D07KEH
Formula
C14H11ClN2O4
Canonical SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
InChI
InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
InChIKey
JGRXMPYUTJLTKT-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
AKB-6548 Metabolite M1 DM016256
67212091
Hydrolysis - Hydrolysis 1 [3]
AKB-6548 Metabolite M2c DM017655 N. A. Oxidation - Monooxygenation 1 [3]
AKB-6548 Metabolite M5 DM016035
24891582
Oxidation - Methylation 1 [3]
AKB-6548 Metabolite M6a DM017648 N. A. Conjugation - Glucuronidation 1 [4]
AKB-6548 Metabolite M7 DM017660 N. A. Conjugation - Glucosidation 1 [3]
Vadadustat acyl glucuronide DM017659 N. A. Conjugation - O-glucuronidation 1 [2]
Vadadustat-O-glucuronide DM017658 N. A. Conjugation - O-glucuronidation 1 [2]
AKB-6548 Metabolite M1 DM016256
67212091
Hydrolysis - Hydrolysis 2 [3]
AKB-6548 Metabolite M11a DM017656 N. A. Conjugation - Glucuronidation 2 [3]
AKB-6548 Metabolite M4a DM017653 N. A. Conjugation - Glucosidation 2 [3]
AKB-6548 Metabolite M8a DM017657 N. A. Conjugation - Sulfation 2 [3]
AKB-6548 Metabolite M9 DM017654 N. A. Conjugation - Glucuronidation 2 [3]
Vadadustat-1-O-beta-glucuronide DM017649 N. A. Unclear - Unclear 2 [4]
AKB-6548 Metabolite M3 DM016740
149512014
Oxidation - Methylation 3 [3]
AKB-6548 Metabolite M4a DM017653 N. A. Conjugation - Glucosidation 3 [3]
Vadadustat-2-O-beta-glucuronide DM017650 N. A. Unclear - Unclear 3 [4]
Vadadustat-3-O-beta-glucuronide DM017651 N. A. Unclear - Unclear 4 [4]
Vadadustat-4-O-beta-glucuronide DM017652 N. A. Unclear - Unclear 5 [4]
⏷ Show the Full List of 18  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009128 AKB-6548 AKB-6548 Metabolite M6a Conjugation - Glucuronidation Unclear [4]
MR009133 AKB-6548 AKB-6548 Metabolite M5 Oxidation - Methylation Unclear [3]
MR009138 AKB-6548 AKB-6548 Metabolite M1 Hydrolysis - Hydrolysis Unclear [3]
MR009139 AKB-6548 AKB-6548 Metabolite M2c Oxidation - Monooxygenation Unclear [3]
MR009142 AKB-6548 Vadadustat-O-glucuronide Conjugation - O-glucuronidation UGT1A1 ... [2]
MR009143 AKB-6548 Vadadustat acyl glucuronide Conjugation - O-glucuronidation UGT1A1 ... [2]
MR009144 AKB-6548 AKB-6548 Metabolite M7 Conjugation - Glucosidation Unclear [3]
MR009140 AKB-6548 Metabolite M2c AKB-6548 Metabolite M11a Conjugation - Glucuronidation Unclear [3]
MR009141 AKB-6548 Metabolite M2c AKB-6548 Metabolite M8a Conjugation - Sulfation Unclear [3]
MR009134 AKB-6548 Metabolite M5 AKB-6548 Metabolite M1 Hydrolysis - Hydrolysis Unclear [3]
MR009137 AKB-6548 Metabolite M5 AKB-6548 Metabolite M9 Conjugation - Glucuronidation Unclear [3]
MR009129 AKB-6548 Metabolite M6a Vadadustat-1-O-beta-glucuronide Unclear - Unclear Unclear [4]
MR009135 AKB-6548 Metabolite M1 AKB-6548 Metabolite M4a Conjugation - Glucosidation Unclear [3]
MR009136 AKB-6548 Metabolite M1 AKB-6548 Metabolite M3 Oxidation - Methylation Unclear [3]
MR009130 Vadadustat-1-O-beta-glucuronide Vadadustat-2-O-beta-glucuronide Unclear - Unclear Unclear [4]
MR009131 Vadadustat-2-O-beta-glucuronide Vadadustat-3-O-beta-glucuronide Unclear - Unclear Unclear [4]
MR009132 Vadadustat-3-O-beta-glucuronide Vadadustat-4-O-beta-glucuronide Unclear - Unclear Unclear [4]
⏷ Show the Full List of 17 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT03242967) Study to Evaluate Three Times Per Week (TIW) Oral Dosing of Vadadustat for Anemia in Subjects With Dialysis-Dependent Chronic Kidney Disease (DD-CKD) (TRILOGY). U.S. National Institutes of Health.
2 DrugBank(Pharmacology-Metabolism):AKB-6548
3 Pharmacokinetic Study of Vadadustat and High-Resolution Mass Spectrometric Characterization of its Novel Metabolites in Equines for the Purpose of Doping Control
4 U. S. FDA Label -AKB-6548

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