Details of the Drug

General Information of Drug (ID: DMO3QDW)

• Drug Name: Pyrido[1,2-a]indole-1.-carboxylic acid analog 5
• Synonyms: PMID25468267-Compound-38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 325.4
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H19N3O3
  IUPAC Name: 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
  Canonical SMILES: CN(C)CCNC(=O)C1=CC2=C(C=C1)C(=C3N2C=CC=C3)C(=O)O
  InChI: InChI=1S/C18H19N3O3/c1-20(2)10-8-19-17(22)12-6-7-13-15(11-12)21-9-4-3-5-14(21)16(13)18(23)24/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)(H,23,24)
  InChIKey: OMVKEKNQENTGRO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56589667
  TTD ID: D0BK5N

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.