Details of the Drug

General Information of Drug (ID: DM84RES)

• Drug Name: PMID27215781-Compound-1
• Drug Type: Small molecular drug
• #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
  TTD ID: D0UW5J

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 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

References

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