Details of the Drug

General Information of Drug (ID: DMSTD28)

• Drug Name: BDBM50173306
• Synonyms: CHEMBL3808565; SCHEMBL17525405; BDBM50173306
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 513.5
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C27H24FN7O3
  IUPAC Name: 4-[4-fluoro-3-(2-pyridin-4-ylethylcarbamoyl)phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
  Canonical SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)F)C(=O)NCCC3=CC=NC=C3)C(=O)NC4=CC5=C(C=C4)NN=C5
  InChI: InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-3-5-22-18(12-19)14-31-35-22)24(34-27(38)32-15)17-2-4-21(28)20(13-17)25(36)30-11-8-16-6-9-29-10-7-16/h2-7,9-10,12-14,24H,8,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
  InChIKey: GJTSGDBPSODHKH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118888923
  TTD ID: D0YD7S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-adrenergic receptor kinase 1 (ADRBK1)	TTAZ3MN	ARBK1_HUMAN	Inhibitor	[1]

References

• [1] G protein-coupled receptor kinase 2 inhibitors and methods for use of the same. US10023564.