Details of the Drug

General Information of Drug (ID: DMS9W6O)

• Drug Name: US9073936, 3
• Synonyms: CHEMBL3678506; SCHEMBL16035729; BDBM168128; US9073936, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 478.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H24F2N6O2
  IUPAC Name: 4-[(4-acetylphenyl)methyl]-5-(3,4-difluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
  Canonical SMILES: CC(=O)C1=CC=C(C=C1)CN2C(=C3C(=N2)N4CC(N=C4N(C3=O)C)(C)C)NC5=CC(=C(C=C5)F)F
  InChI: InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
  InChIKey: ITYGOFCAYSOSFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86279223
  TTD ID: D0Z1CK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 1B (PDE1B)	TT3ZS42	PDE1B_HUMAN	Inhibitor	[1]

References

• [1] Organic compounds. US9598426.