Details of the Drug

General Information of Drug (ID: DMF0XI3)

• Drug Name: Pyrido[1,2-a]indole-1.-carboxylic acid analog 1
• Synonyms: PMID25468267-Compound-34
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 355.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H21N3O4
  IUPAC Name: 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
  Canonical SMILES: CN(C)CCOC(=O)C1=C2C=CC=CN2C3=C1C=CC(=C3)C(=O)NOC
  InChI: InChI=1S/C19H21N3O4/c1-21(2)10-11-26-19(24)17-14-8-7-13(18(23)20-25-3)12-16(14)22-9-5-4-6-15(17)22/h4-9,12H,10-11H2,1-3H3,(H,20,23)
  InChIKey: ZZDUDEMXVPDTNG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56589666
  TTD ID: D04KUD

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.