Details of the Drug

General Information of Drug (ID: DMZQIKL)

• Drug Name: US8481733, 118
• Synonyms: SCHEMBL1129553; SCHEMBL1129554; CHEMBL2325937; BDBM98306; US8481733, 118
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 420.5
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H22F2N4O
  IUPAC Name: 3-[8-amino-1-[4-[difluoro(phenyl)methyl]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(C5=CC=CC=C5)(F)F)O
  InChI: InChI=1S/C24H22F2N4O/c1-23(31)13-16(14-23)22-29-19(20-21(27)28-11-12-30(20)22)15-7-9-18(10-8-15)24(25,26)17-5-3-2-4-6-17/h2-12,16,31H,13-14H2,1H3,(H2,27,28)
  InChIKey: QXYZHRYXSNHAFM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44538590
  TTD ID: D0T9JA

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.