Details of the Drug

General Information of Drug (ID: DMCLKBY)

• Drug Name: Pyrido[1,2-a]indole-1.-carboxylic acid analog 3
• Synonyms: PMID25468267-Compound-36
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 381.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H27N3O3
  IUPAC Name: 2-(dimethylamino)ethyl 3-[3-(dimethylamino)propanoyl]pyrido[1,2-a]indole-10-carboxylate
  Canonical SMILES: CN(C)CCC(=O)C1=CC2=C(C=C1)C(=C3N2C=CC=C3)C(=O)OCCN(C)C
  InChI: InChI=1S/C22H27N3O3/c1-23(2)12-10-20(26)16-8-9-17-19(15-16)25-11-6-5-7-18(25)21(17)22(27)28-14-13-24(3)4/h5-9,11,15H,10,12-14H2,1-4H3
  InChIKey: HQWDSOCFKBELNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 66666946
  TTD ID: D0RP4W

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.