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Search term: IGRCWJPBLWGNPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | TGR5 | C18H14Cl2N2O2

TGR5

  • Molecular FormulaC18H14Cl2N2O2
  • Average mass361.222 Da
  • Monoisotopic mass360.043243 Da
  • ChemSpider ID24638138

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1197300-24-5 [RN]
3-(2-Chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chlorophényl)-N-(4-chlorophényl)-N,5-diméthyl-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(2-Chlorphenyl)-N-(4-chlorphenyl)-N,5-dimethyl-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl- [ACD/Index Name]
TGR5
TGR5 Receptor Agonist
3-(2-CHLOROPHENYL)-N-(4-CHLOROPHENYL)-N,5-DIMETHYL-4-ISOXAZOLE CARBOXAMIDE
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-4-Isoxazolecarboxamide
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethylisoxazole-4-carboxamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      GPCR19 TargetMol T1824

    • Bio Activity:

      GPCR/G protein MedChem Express HY-14229
      GPCR/G Protein TargetMol T1824
      GPCR/G protein; MedChem Express HY-14229
      GPCR19 MedChem Express HY-14229
      TGR5 TargetMol T1824
      TGR5 Receptor Agonist, a potent TGR5(GPCR19) agonist, showed improved potency in the U2-OS cell assay (pEC50 = 6.8) and in melanophore cells (pEC50 = 7.5). MedChem Express
      TGR5 Receptor Agonist, a potent TGR5(GPCR19) agonist, showed improved potency in the U2-OS cell assay (pEC50 = 6.8) and in melanophore cells (pEC50 = 7.5).; IC50 value: 6.8 (pEC50, U2-OS cell assay); 7.5(pEC50, melanophore cell) [1]; Target: TGR5; TGR5 Receptor Agonist was profiled against more than 100 in-house and external 7TM, ion channel, enzyme, transporter, and nuclear hormone receptor selectivity assays, including FXR, another bile acid receptor, and showed significant response only in secretion of the pro-inflammatory cytokine TNFalpha (pIC50 = 6.8) in human primary monocytes following stimulation with LPS (lipopolysaccharide). MedChem Express HY-14229
      TGR5 Receptor Agonist, a potent TGR5(GPCR19) agonist, showed improved potency in the U2-OS cell assay (pEC50 = 6.8) and in melanophore cells (pEC50 = 7.5).;IC50 value: 6.8 (pEC50, U2-OS cell assay); 7.5(pEC50, melanophore cell) [1];Target: TGR5;TGR5 Receptor Agonist was profiled against more than 100 in-house and external 7TM, ion channel, enzyme, transporter, and nuclear hormone receptor selectivity assays, including FXR, another bile acid receptor, and showed significant response only in secretion of the pro-inflammatory cytokine TNFalpha (pIC50 = 6.8) in human primary monocytes following stimulation with LPS (lipopolysaccharide). In addition, TGR5 Receptor Agonist has good physicochemical properties and no measurable activity against three of the common cytochrome P450 (CYP450) isoforms (1A2, 2C9, and 2D6) or hERG dofetilide binding (pIC50 <4.3). ;In rat pharmacokinetic (PK) studies, however, TGR5 Receptor Agonist showed high in vivo clearance (Cl = 85 mL/min/kg) and intrinsic MedChem Express HY-14229

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 990.13
ACD/KOC (pH 5.5): 4851.97
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 990.14
ACD/KOC (pH 7.4): 4851.97
Polar Surface Area: 46 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 268.3±3.0 cm3

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