Details of the Drug

General Information of Drug (ID: DM4MJ3U)

• Drug Name: US9493447, 1001
• Synonyms: SCHEMBL2388915; CHEMBL3964627; BDBM253042; US9493447, 1001
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 499
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C25H23ClN2O5S
  IUPAC Name: 1-[5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl]-2-ethoxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanone
  Canonical SMILES: CCOC(C1=CC=C(C=C1)C2=NN=C(S2)C)C(=O)C3=CC=C(O3)C4=CC(=C(C(=C4)OC)Cl)OC
  InChI: InChI=1S/C25H23ClN2O5S/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)34-25)23(29)19-11-10-18(33-19)17-12-20(30-3)22(26)21(13-17)31-4/h6-13,24H,5H2,1-4H3
  InChIKey: QQHJRLKSCSRMEM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 53378118
  TTD ID: D0EN2M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 8 (PDE8)	TTIS4OW	PDE8A_HUMAN	Inhibitor	[1]

References

• [1] Optically active PDE10 inhibitor. US9493447.