Details of the Drug

General Information of Drug (ID: DM36R21)

• Drug Name: US8481733, 95
• Synonyms: SCHEMBL4356213; SCHEMBL4356209; CHEMBL2325936; BDBM98283; US8481733, 95
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 384.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H24N4O
  IUPAC Name: 3-[8-amino-1-(4-benzylphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
  Canonical SMILES: CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)CC5=CC=CC=C5)O
  InChI: InChI=1S/C24H24N4O/c1-24(29)14-19(15-24)23-27-20(21-22(25)26-11-12-28(21)23)18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,19,29H,13-15H2,1H3,(H2,25,26)
  InChIKey: ZSKAHJMMVVSPKI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57961044
  TTD ID: D0PX1D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Activated CDC42 kinase 1 (ACK-1)	TTIET93	ACK1_HUMAN	Inhibitor	[1]

References

• [1] Substituted imidazopyr- and imidazotri-azines. US8481733.