Details of the Drug

General Information of Drug (ID: DMX4W2R)

• Drug Name: PMID27215781-Compound-33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 455.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H22FNO5S
  IUPAC Name: [3-[(4-fluorophenyl)methyl]-2,2-dimethyl-4-oxo-1,3-benzoxazin-7-yl] 4-methylbenzenesulfonate
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)N(C(O3)(C)C)CC4=CC=C(C=C4)F
  InChI: InChI=1S/C24H22FNO5S/c1-16-4-11-20(12-5-16)32(28,29)31-19-10-13-21-22(14-19)30-24(2,3)26(23(21)27)15-17-6-8-18(25)9-7-17/h4-14H,15H2,1-3H3
  InChIKey: RDCDFXNTJYTRNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75593310
  TTD ID: D0OE0D

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	Not Available	[1]

Molecular Expression Atlas of This Drug

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

References

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