Details of the Drug

General Information of Drug (ID: DM5QAKR)

• Drug Name: Hydroxyqunoline analog 5
• Synonyms: PMID25468267-Compound-45
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 472.6
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C29H36N4O2
  IUPAC Name: [4-[4-[(dimethylamino)methyl]piperidin-1-yl]piperidin-1-yl]-[3-(8-hydroxyquinolin-6-yl)phenyl]methanone
  Canonical SMILES: CN(C)CC1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=CC(=C3)C4=CC(=C5C(=C4)C=CC=N5)O
  InChI: InChI=1S/C29H36N4O2/c1-31(2)20-21-8-13-32(14-9-21)26-10-15-33(16-11-26)29(35)24-6-3-5-22(17-24)25-18-23-7-4-12-30-28(23)27(34)19-25/h3-7,12,17-19,21,26,34H,8-11,13-16,20H2,1-2H3
  InChIKey: CILGUWSVIMKGON-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 70679266
  TTD ID: D08KYP

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.