Details of the Drug

General Information of Drug (ID: DM8UOKE)

• Drug Name: US9096594, 3
• Synonyms: BDBM173195; US9096594, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 311.4
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H25N3O
  IUPAC Name: (4R)-3,7,7-trimethyl-4-phenyl-2,3,3a,4,6,8,9,9a-octahydro-1H-pyrazolo[3,4-b]quinolin-5-one
  Canonical SMILES: CC1C2[C@@H](C3=C(CC(CC3=O)(C)C)NC2NN1)C4=CC=CC=C4
  InChI: InChI=1S/C19H25N3O/c1-11-15-16(12-7-5-4-6-8-12)17-13(20-18(15)22-21-11)9-19(2,3)10-14(17)23/h4-8,11,15-16,18,20-22H,9-10H2,1-3H3/t11?,15?,16-,18?/m0/s1
  InChIKey: RWOOXYWACRLYJU-RQWZRZRSSA-N
• Cross-matching ID:
  PubChem CID: 118797815
  TTD ID: D0MN6V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Casein kinase I alpha (CSNK1A1)	TTFQEMX	KC1A_HUMAN	Inhibitor	[1]

References

• [1] Kinase inhibitors and methods of use thereof. US9096594.