Details of the Drug

General Information of Drug (ID: DMS7ZLK)

• Drug Name: BDBM50158703
• Synonyms: CHEMBL3785832; SCHEMBL15777940; BDBM50158703
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 329.74
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H12ClN3O3
  IUPAC Name: 2-[5-[(4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
  Canonical SMILES: C1=CC(=CC=C1COC2=CC=NN2C3=NC=CC(=C3)C(=O)O)Cl
  InChI: InChI=1S/C16H12ClN3O3/c17-13-3-1-11(2-4-13)10-23-15-6-8-19-20(15)14-9-12(16(21)22)5-7-18-14/h1-9H,10H2,(H,21,22)
  InChIKey: SMXDPQZYSIFABV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90204862
  TTD ID: D0GH8J

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. US9714230.