Details of the Drug

General Information of Drug (ID: DMGO1CB)

• Drug Name: Indazole derivative 6
• Synonyms: PMID27828716-Compound-12
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 428.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H26F2N4O2
  IUPAC Name: 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
  Canonical SMILES: COCCN1CCC(CC1)CNC(=O)C2=NNC3=C2C=C(C=C3)C4=C(C(=CC=C4)F)F
  InChI: InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
  InChIKey: QCLXNOBXQUWUEW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71680628
  TTD ID: D0WX0K

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.