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

General Information of Drug (ID: DR2913)
Drug Name
FLM-5011
Synonyms 1-(2-Hydroxy-5-methylphenyl)-1-dodecanone oxime; 2-Hydroxy-5-methylaurophenone oxime
Indication Inflammation [ICD11: 1A00-CA43] Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 305.5 Topological Polar Surface Area 52.8
Heavy Atom Count 22 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
136029274
CAS Number
105634-48-8
TTD Drug ID
D0T8VV
Formula
C19H31NO2
Canonical SMILES
CCCCCCCCCCC/C(=N/O)/C1=C(C=CC(=C1)C)O
InChI
InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-15-16(2)13-14-19(17)21/h13-15,21-22H,3-12H2,1-2H3/b20-18-
InChIKey
OOXQDZTUGOJLHK-ZZEZOPTASA-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
FLM 5011 Ketone DM015417
4064975
Unclear - Unclear 1 [3]
FLM-5011 Metabolite M1 DM018129 N. A. Unclear - Unclear 1 [3]
FLM-5011 Metabolite M2 DM016673
136704884
Unclear - Unclear 2 [3]
FLM-5011 Metabolite M3 DM016672
136704883
Unclear - Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010050 FLM-5011 FLM-5011 Metabolite M1 Unclear - Unclear Unclear [3]
MR010053 FLM-5011 FLM 5011 Ketone Unclear - Unclear Unclear [3]
MR010051 FLM-5011 Metabolite M1 FLM-5011 Metabolite M2 Unclear - Unclear Unclear [3]
MR010052 FLM-5011 Metabolite M2 FLM-5011 Metabolite M3 Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [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 800002782)
2 U. S. FDA Label -FLM-5011
3 Biotransformation and toxicity of the lipoxygenase inhibitor 2-hydroxy-5-methyllaurophenone oxime (FLM 5011) on Hep G2 cells

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