Details of the Drug

General Information of Drug (ID: DMAJFDT)

• Drug Name: Hydroxyqunoline analog 1
• Synonyms: PMID25468267-Compound-41
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 189.17
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H7NO3
  IUPAC Name: 8-hydroxyquinoline-5-carboxylic acid
  Canonical SMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)O
  InChI: InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
  InChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 459617
  ChEBI ID: CHEBI:93239
  CAS Number: 5852-78-8
  TTD ID: D00VLQ

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.