Details of the Drug

General Information of Drug (ID: DMPT2ZS)

• Drug Name: US9108950, 1
• Synonyms: CHEMBL3701217; SCHEMBL14837075; BDBM161376; US9108950, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 583.7
  Logarithm of the Partition Coefficient (xlogp); 8.1
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C35H33N7O2
  IUPAC Name: 1-[4-(2-anilinopyrimidin-4-yl)oxynaphthalen-1-yl]-3-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea
  Canonical SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=NC(=NC=C5)NC6=CC=CC=C6
  InChI: InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
  InChIKey: DBXJNQABFNNKPN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71547929
  TTD ID: D0H0SM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hematopoietic cell kinase (HCK)	TT42OGM	HCK_HUMAN	Inhibitor	[1]

References

• [1] 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as p38 MAP kinase inhibitors. US9108950.