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

General Information of Drug (ID: DR3024)
Drug Name
SRI-62-834
Synonyms CRC-8605; Rac-2-[Hydroxy[2-(octadecyloxymethyl)tetrahydrofuran-2-ylmethoxy]phosphinyloxy]-N,N,N-trimethylethylamminium hydroxyde,inner salt P-oxide
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 549.8 Topological Polar Surface Area 77
Heavy Atom Count 37 Rotatable Bond Count 26
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
130724
CAS Number
113201-37-9
TTD Drug ID
D00QCB
Formula
C29H60NO6P
Canonical SMILES
CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C
InChI
InChI=1S/C29H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-27-29(22-21-25-34-29)28-36-37(31,32)35-26-23-30(2,3)4/h5-28H2,1-4H3
InChIKey
OEWZGBLJCYAMEG-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
SRI-62-834 Metabolite M1 DM018165 N. A. Unclear - Unclear 1 [2]
SRI-62-834 Metabolite M2 DM015958
19008668
Unclear - Unclear 1 [2]
SRI-62-834 Metabolite M2 DM015958
19008668
Unclear - Unclear 2 [2]
SRI-62-834 Metabolite M3 DM015265
263157
Unclear - Unclear 2 [2]
SRI-62-834 Metabolite M3 DM015265
263157
Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010091 SRI-62-834 SRI-62-834 Metabolite M1 Unclear - Unclear PLD1 [2]
MR010094 SRI-62-834 SRI-62-834 Metabolite M2 Unclear - Unclear plc [2]
MR010092 SRI-62-834 Metabolite M1 SRI-62-834 Metabolite M2 Unclear - Unclear Unclear [2]
MR010093 SRI-62-834 Metabolite M2 SRI-62-834 Metabolite M3 Unclear - Unclear AGMO [2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000818)
2 Is metabolism an important arbiter of anticancer activity of ether lipids? Metabolism of SRI 62-834 and hexadecylphosphocholine by [31P]-NMR spectroscopy and comparison of their cytotoxicities with those of their metabolites

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