Details of the Drug

General Information of Drug (ID: DMRU21X)

Drug Name
N-oleoyl-N-(2-hydroxyethyl)hydroxylamine
Synonyms CHEMBL203189; N-oleoyl-N-(2-hydroxyethyl)hydroxylamine; ZINC36294910
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) 341.5
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 17
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H39NO3
IUPAC Name
(Z)-N-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)N(CCO)O
InChI
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22/h9-10,22,24H,2-8,11-19H2,1H3/b10-9-
InChIKey
QINGXEUKNRODNT-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
11638703
TTD ID
D0Q8QH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Oxyhomologues of anandamide and related endolipids: chemoselective synthesis and biological activity. J Med Chem. 2006 Apr 6;49(7):2333-8.