Details of the Drug

General Information of Drug (ID: DMWJZU9)

• Drug Name: BDBM50158794
• Synonyms: CHEMBL3785470; SCHEMBL15792416; BDBM50158794
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 340.4
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C18H17FN4O2
  IUPAC Name: 3-[(1-cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
  Canonical SMILES: C1CCC(C1)N2C3=C(C=C(C=C3)F)C(=N2)NC4=C(C=CN=C4)C(=O)O
  InChI: InChI=1S/C18H17FN4O2/c19-11-5-6-16-14(9-11)17(22-23(16)12-3-1-2-4-12)21-15-10-20-8-7-13(15)18(24)25/h5-10,12H,1-4H2,(H,21,22)(H,24,25)
  InChIKey: LJHFNRZRNINLGH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 76282772
  TTD ID: D0G8QR

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. US10040779.