Details of the Drug

General Information of Drug (ID: DM9DA8O)

Drug Name
Rac-trans-N-oleoylcyclopropanolamide
Synonyms cyclopropanolamide, 12b; cyclopropanolamide, rac-9b; CHEMBL472662; BDBM29082
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 337.5
Logarithm of the Partition Coefficient (xlogp) 6.6
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H39NO2
IUPAC Name
(Z)-N-[(1R,2R)-2-hydroxycyclopropyl]octadec-9-enamide
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)N[C@@H]1C[C@H]1O
InChI
InChI=1S/C21H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-19-18-20(19)23/h9-10,19-20,23H,2-8,11-18H2,1H3,(H,22,24)/b10-9-/t19-,20-/m1/s1
InChIKey
VCMSNKIQHBVCSW-BHGRFLGOSA-N
Cross-matching ID
PubChem CID
42617986
TTD ID
D04ECZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 1 (CB1) TT6OEDT CNR1_HUMAN Inhibitor [1]
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

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 1 (CB1) DTT CNR1 5.59E-02 -0.22 -0.45
Cannabinoid receptor 1 (CB1) DTT CNR1 7.68E-01 -0.06 -0.46
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Conformationally constrained fatty acid ethanolamides as cannabinoid and vanilloid receptor probes. J Med Chem. 2009 May 14;52(9):3001-9.