Details of the Drug

General Information of Drug (ID: DMDR95N)

Drug Name
O-oleoyl-N-(2-hydroxyethyl)hydroxylamine
Synonyms CHEMBL380925; O-oleoyl-N-(2-hydroxyethyl)hydroxylamine; ZINC36294908
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) 6.7
Rotatable Bond Count (rotbonds) 19
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H39NO3
IUPAC Name
(2-hydroxyethylamino) (Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)ONCCO
InChI
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-21-18-19-22/h9-10,21-22H,2-8,11-19H2,1H3/b10-9-
InChIKey
WVNBOVPUAYEKIK-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
11702887
TTD ID
D05TQX

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.