Details of the Drug

General Information of Drug (ID: DMUD7H8)

• Drug Name: Unii-I92MU0V408
• Synonyms: UNII-I92MU0V408; I92MU0V408; SCHEMBL1695326; CHEMBL3695568; RTDCVLCTBQDLBW-UHFFFAOYSA-N; BDBM142597; RV568; US8933228, Ref 1; RV-568; JNJ-49095397; N-(4-(((4-((((3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)amino)carbonyl)amino)-1-naphthalenyl)oxy)methyl)-2-pyridinyl)-2-methoxyacetamide; Acetamide, N-(4-(((4-((((3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)amino)carbonyl)amino)-1-naphthalenyl)oxy)methyl)-2-pyridinyl)-2-methoxy-; 1220626-82-3; N-[4-({4-[3-(3-tert-Butyl-1-p-tolyl-1H-pyrazol-5-yl)ur
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 592.7
  Topological Polar Surface Area (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C34H36N6O4
  IUPAC Name: N-[4-[[4-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]pyridin-2-yl]-2-methoxyacetamide
  Canonical SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCC5=CC(=NC=C5)NC(=O)COC
  InChI: InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
  InChIKey: RTDCVLCTBQDLBW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 45109868
  CAS Number: 1220626-82-3
  TTD ID: D07PDQ

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.
• [2] Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases. US9765037.
• [3] Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases and pharmaceutical composition containing same. US9062066.
• [4] 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as p38 MAP kinase inhibitors. US9108950.
• [5] 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as P38 MAP knase inhibitors. US9724347.
• [6] Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat Chem Biol. 2008 Nov;4(11):691-9.
• [7] Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6061-6.