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
• 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
Casein kinase I alpha (CSNK1A1)	TTFQEMX	KC1A_HUMAN	Inhibitor	[1]

References

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