Details of the Drug

General Information of Drug (ID: DMYJF70)

• Drug Name: BDBM50158755
• Synonyms: CHEMBL3786579; SCHEMBL15778210; BDBM50158755
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 357.3
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C18H16FN3O4
  IUPAC Name: 2-[5-[(4-fluorophenyl)methoxy]-4-(2-hydroxyethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
  Canonical SMILES: C1=CC(=CC=C1COC2=C(C=NN2C3=NC=CC(=C3)C(=O)O)CCO)F
  InChI: InChI=1S/C18H16FN3O4/c19-15-3-1-12(2-4-15)11-26-17-14(6-8-23)10-21-22(17)16-9-13(18(24)25)5-7-20-16/h1-5,7,9-10,23H,6,8,11H2,(H,24,25)
  InChIKey: MAYCQAAYKTWJKJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90205053
  TTD ID: D0K4LW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]

References

• [1] Histone demethylase inhibitors. US10173996.