Details of the Drug

General Information of Drug (ID: DM1CNRH)

• Drug Name: Indole-based analog 12
• Synonyms: PMID26161698-Compound-19
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 352.4
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C24H20N2O
  IUPAC Name: (2-phenylphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
  Canonical SMILES: C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4C5=CC=CC=C5
  InChI: InChI=1S/C24H20N2O/c27-24(21-12-5-4-10-18(21)17-8-2-1-3-9-17)26-15-14-20-19-11-6-7-13-22(19)25-23(20)16-26/h1-13,25H,14-16H2
  InChIKey: UCWAWBWZKYMCRY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25164141
  TTD ID: D0BU1L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase (CDK)	TTMBO1Z	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.