Details of the Drug

General Information of Drug (ID: DMPNCOL)

• Drug Name: US8933228, 3
• Synonyms: SCHEMBL12434738; CHEMBL1090979; BDBM142601; US8933228, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 561.6
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C32H31N7O3
  IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-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=C6C(=NC=C5)NC(=O)N6C
  InChI: InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
  InChIKey: JIFZZVZROIFPKB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46198319
  TTD ID: D0B7VP

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] Respiratory formulations and compounds for use therein. US8933228.