Details of the Drug

General Information of Drug (ID: DMKYX7J)

• Drug Name: Pyrazolodihydropyridine derivative 1
• Synonyms: PMID27828716-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 337.4
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H23N3O2
  IUPAC Name: (4R)-4-(2-methoxyphenyl)-3,7,7-trimethyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
  Canonical SMILES: CC1=C2[C@@H](C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=CC=C4OC
  InChI: InChI=1S/C20H23N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23)/t17-/m0/s1
  InChIKey: KYFJPYWXCUCRPE-KRWDZBQOSA-N
• Cross-matching ID:
  PubChem CID: 1478036
  TTD ID: D0FV9Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 alpha (GSK-3A)	TTRZQE3	GSK3A_HUMAN	Inhibitor	[1]

References

• [1] Glycogen synthase kinase 3 (GSK-3) inhibitors: a patent update (2014-2015).Expert Opin Ther Pat. 2017 Jun;27(6):657-666.