Details of the Drug

General Information of Drug (ID: DMCMKIL)

• Drug Name: Hydroxyqunoline analog 3
• Synonyms: PMID25468267-Compound-43
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 349.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H23N3O2
  IUPAC Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-3-yl)benzamide
  Canonical SMILES: CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CN=C3C(=C2)C=CC=C3O
  InChI: InChI=1S/C21H23N3O2/c1-24(2)12-4-11-22-21(26)16-9-7-15(8-10-16)18-13-17-5-3-6-19(25)20(17)23-14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,22,26)
  InChIKey: USYGLVCNYUDJNL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49853311
  TTD ID: D0P8YL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4E (KDM4E)	TTWAQBO	KDM4E_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.