Details of the Drug

General Information of Drug (ID: DMZH3MX)

• Drug Name: US9073936, 2
• Synonyms: CHEMBL3678505; SCHEMBL16036012; BDBM168127; US9073936, 2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 462.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H27FN6O2
  IUPAC Name: 5-(4-fluoroanilino)-4-[[4-(1-hydroxyethyl)phenyl]methyl]-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(C1=CC=C(C=C1)CN2C(=C3C(=N2)N4CC(N=C4N(C3=O)C)(C)C)NC5=CC=C(C=C5)F)O
  InChI: InChI=1S/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
  InChIKey: PSUHAEXBWCRQED-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86279224
  TTD ID: D0HO1Q

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.