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

General Information of Drug (ID: DR3319)
Drug Name
AKB-9778
Synonyms .
Indication Arterial occlusive disease [ICD11: BD4Z] Phase 2 [1]
Prematurity retinopathy [ICD11: ICD11: 9B71] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 586.7 Topological Polar Surface Area 212
Heavy Atom Count 39 Rotatable Bond Count 12
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
46700782
CAS Number
1008510-37-9
TTD Drug ID
D08VIS
Formula
C26H26N4O6S3
Canonical SMILES
COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)NS(=O)(=O)O)C3=CSC(=N3)C4=CC=CS4
InChI
InChI=1S/C26H26N4O6S3/c1-36-26(32)29-21(15-17-6-3-2-4-7-17)24(31)27-20(22-16-38-25(28-22)23-8-5-13-37-23)14-18-9-11-19(12-10-18)30-39(33,34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,29,32)(H,33,34,35)/t20-,21-/m0/s1
InChIKey
KWJDHELCGJFUHW-SFTDATJTSA-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-9778 M1 DM019724 N. A. Unclear - Unclear 1 [3]
AKB-9778 M6 DM019729 N. A. Unclear - Unclear 1 [3]
AKB-9778 M2 DM019725 N. A. Unclear - Unclear 2 [3]
AKB-9778 M3 DM019726 N. A. Unclear - Unclear 3 [3]
AKB-9778 M4 DM019727 N. A. Unclear - Unclear 4 [3]
AKB-9778 M5 DM019728 N. A. Conjugation - S-methylation 5 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012453 AKB-9778 AKB-9778 M1 Unclear - Unclear Unclear [3]
MR012458 AKB-9778 AKB-9778 M6 Unclear - Unclear Unclear [3]
MR012454 AKB-9778 M1 AKB-9778 M2 Unclear - Unclear Unclear [3]
MR012455 AKB-9778 M2 AKB-9778 M3 Unclear - Unclear Unclear [3]
MR012456 AKB-9778 M3 AKB-9778 M4 Unclear - Unclear Unclear [3]
MR012457 AKB-9778 M4 AKB-9778 M5 Conjugation - S-methylation CYP2C8 [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT02387788) Open Label Study to Assess the Efficacy and Safety of AKB-9778 in Subjects With Macular Edema Due to RVO. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Oxidative metabolism of razuprotafib (AKB-9778), a sulfamic acid phosphatase inhibitor, in human microsomes and recombinant human CYP2C8 enzyme

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