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
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.