Details of the Drug

General Information of Drug (ID: DMKWTPX)

Drug Name
FLM-5011
Synonyms 1-(2-Hydroxy-5-methylphenyl)-1-dodecanone oxime; 2-Hydroxy-5-methylaurophenone oxime
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 305.5
Logarithm of the Partition Coefficient (xlogp) 7
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H31NO2
IUPAC Name
2-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]-4-methylphenol
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
Cross-matching ID
PubChem CID
136029274
CAS Number
105634-48-8
TTD ID
D0T8VV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lipoxygenase (ALOX) TTG3K2U NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 Lipoxygenase inhibitor FLM 5011, an effective protectant of myocardial microvessels against ischemia-reperfusion injury. Exp Toxicol Pathol. 2000 Mar;52(1):27-36.