Details of the Drug

General Information of Drug (ID: DMV6FL8)

• Drug Name: US8481733, 106
• Synonyms: SCHEMBL1128749; SCHEMBL1128751; CHEMBL2325938; BDBM98294; US8481733, 106
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 414.5
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C25H26N4O2
  IUPAC Name: 3-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]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)C(C)(C5=CC=CC=C5)O)O
  InChI: InChI=1S/C25H26N4O2/c1-24(30)14-17(15-24)23-28-20(21-22(26)27-12-13-29(21)23)16-8-10-19(11-9-16)25(2,31)18-6-4-3-5-7-18/h3-13,17,30-31H,14-15H2,1-2H3,(H2,26,27)
  InChIKey: MUKLAWDKMYGQSN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44468332
  TTD ID: D0SZ3I

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.