Details of the Drug

General Information of Drug (ID: DMRQ1ZB)

• Drug Name: Pyrido[1,2-a]indole-1.-carboxylic acid analog 6
• Synonyms: PMID25468267-Compound-39
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 312.32
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H16N2O4
  IUPAC Name: 3-(2-methoxyethylcarbamoyl)pyrido[1,2-a]indole-10-carboxylic acid
  Canonical SMILES: COCCNC(=O)C1=CC2=C(C=C1)C(=C3N2C=CC=C3)C(=O)O
  InChI: InChI=1S/C17H16N2O4/c1-23-9-7-18-16(20)11-5-6-12-14(10-11)19-8-3-2-4-13(19)15(12)17(21)22/h2-6,8,10H,7,9H2,1H3,(H,18,20)(H,21,22)
  InChIKey: HHIORJMMUBJBIN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66667268
  TTD ID: D0Z2YB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4C (KDM4C)	TTV8CRH	KDM4C_HUMAN	Inhibitor	[1]

References

• [1] KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.