Details of the Drug

General Information of Drug (ID: DMTWI1H)

• Drug Name: BDBM50158803
• Synonyms: CHEMBL3787438; SCHEMBL15792889; BDBM50158803
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 352.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C18H17FN6O
  IUPAC Name: N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
  Canonical SMILES: CC(C)CN1C2=C(C=C(C=C2)F)C(=N1)NC3=C(C=CN=C3)C(=O)NC#N
  InChI: InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
  InChIKey: HHHITATYTCPWBZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90216982
  TTD ID: D01WHH

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. US9617242.