Details of the Drug

General Information of Drug (ID: DM84RES)

Drug Name
PMID27215781-Compound-1
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 314.4
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H26N2O2
IUPAC Name
2-[5-cyclopropyl-4-(cyclopropylmethoxy)pyridin-2-yl]-4,4-diethyl-5H-1,3-oxazole
Canonical SMILES
CCC1(COC(=N1)C2=NC=C(C(=C2)OCC3CC3)C4CC4)CC
InChI
InChI=1S/C19H26N2O2/c1-3-19(4-2)12-23-18(21-19)16-9-17(22-11-13-5-6-13)15(10-20-16)14-7-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKey
NMHFZCVAQZPHOP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
78428089
ChEBI ID
CHEMBL5946522
TTD ID
D0UW5J
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 Agonist [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 Cannabinoid receptor 2 (CB2) agonists and antagonists: a patent update.Expert Opin Ther Pat. 2016 Jul;26(7):843-56.