Details of the Drug

General Information of Drug (ID: DMXY3F0)

• Drug Name: Pyrido[1,2-a]indole-1.-carboxylic acid analog 7
• Synonyms: PMID25468267-Compound-40
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 298.29
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H14N2O4
  IUPAC Name: 3-(2-hydroxyethylcarbamoyl)pyrido[1,2-a]indole-10-carboxylic acid
  Canonical SMILES: C1=CC2=C(C3=C(N2C=C1)C=C(C=C3)C(=O)NCCO)C(=O)O
  InChI: InChI=1S/C16H14N2O4/c19-8-6-17-15(20)10-4-5-11-13(9-10)18-7-2-1-3-12(18)14(11)16(21)22/h1-5,7,9,19H,6,8H2,(H,17,20)(H,21,22)
  InChIKey: OVCGCJPQKMNJNJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56643890
  TTD ID: D0Q5IR

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.