Details of the Drug

General Information of Drug (ID: DMU07MO)

• Drug Name: BDBM50158791
• Synonyms: CHEMBL3786596; SCHEMBL15818867; SCHEMBL19646964; BDBM50158791
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 286.37
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H22N2O2
  IUPAC Name: 3-(1-adamantylmethylamino)pyridine-4-carboxylic acid
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CNC4=C(C=CN=C4)C(=O)O
  InChI: InChI=1S/C17H22N2O2/c20-16(21)14-1-2-18-9-15(14)19-10-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,9,11-13,19H,3-8,10H2,(H,20,21)
  InChIKey: TUXVCHDESZTZON-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77106319
  TTD ID: D05CCY

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. US9725441.