Details of the Drug

General Information of Drug (ID: DMQ5USA)

Drug Name
N-(3,4,5-trihydroxyphenethyl)oleamide
Synonyms N-(3,4,5-trihydroxyphenethyl)oleamide; CHEMBL251733
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 433.6
Logarithm of the Partition Coefficient (xlogp) 7.9
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H43NO4
IUPAC Name
(Z)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]octadec-9-enamide
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)NCCC1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)27-19-18-22-20-23(28)26(31)24(29)21-22/h9-10,20-21,28-29,31H,2-8,11-19H2,1H3,(H,27,30)/b10-9-
InChIKey
MGJONYQVBJKXRL-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
23661707
TTD ID
D0M2KQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Lethal factor (Bact lef) TTIQSC1 LEF_BACAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of anthrax lethal factor. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4575-8.