ChemSpider 2D Image | GNE-7915 | C19H21F4N5O3

GNE-7915

  • Molecular FormulaC19H21F4N5O3
  • Average mass443.395 Da
  • Monoisotopic mass443.158051 Da
  • ChemSpider ID28668366

More details:

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

(4-{[4-(Ethylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}-2-fluor-5-methoxyphenyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(4-{[4-(Ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-2-fluoro-5-methoxyphenyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(4-{[4-(Éthylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}-2-fluoro-5-méthoxyphényl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
1351761-44-8 [RN]
GNE-7915
Methanone, [4-[[4-(ethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2-fluoro-5-methoxyphenyl]-4-morpholinyl- [ACD/Index Name]
N4-ethyl-N2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
(3S,4S)-pyrrolidine-3,4-diol
(4-((4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-2-fluoro-5-methoxyphenyl)(morpholino)methanone
(4-(4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-2-fluoro-5-ethoxyphenyl)(morpholino)methanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      LRRK2 inhibitor TargetMol T1945

    • Bio Activity:

      GNE-7915 is a highly potent, selective, and brain-penetrable LRRK2 small molecule inhibitor with IC50 of 9 nM in cellular LRRK2 assay; MedChem Express http://www.medchemexpress.com/BVT-2733.html
      GNE-7915 is a highly potent, selective, and brain-penetrable LRRK2 small molecule inhibitor with IC50 of 9 nM in cellular LRRK2 assay; > 100 fold selectivity against a panel of 187 kianses(Ki).; IC50 value: 9 nM (cellular assay) [1]; Target: LRRK2; GNE-7915 demonstrated excellent in vitro DMPK and in vivo rat PK profiles including minimal turnover in human hepatocytes and low total and unbound clearance values as predicted by rat hepatocytes, long half-lives, good oral exposure, high passive permeability, no human P-gp efflux, and good brain penetration in rats. MedChem Express HY-18163
      GNE-7915 is a highly potent, selective, and brain-penetrable LRRK2 small molecule inhibitor with IC50 of 9 nM in cellular LRRK2 assay; > 100 fold selectivity against a panel of 187 kianses(Ki).;IC50 value: 9 nM (cellular assay) [1];Target: LRRK2GNE-7915 demonstrated excellent in vitro DMPK and in vivo rat PK profiles including minimal turnover in human hepatocytes and low total and unbound clearance values as predicted by rat hepatocytes, long half-lives, good oral exposure, high passive permeability, no human P-gp efflux, and good brain penetration in rats. GNE-7915 also showed concentration-dependent knockdown of pLRRK2 in the brain of BAC transgenic mice expressing human LRRK2 protein with the G2019S PD mutation. A pharmacodynamic inhibition model had a calculated in vivo unbound brain IC50 of 7 nM for GNE-7915. MedChem Express HY-18163
      leucine-rich repeat kinase 2 TargetMol T1945
      LRRK2 MedChem Express HY-18163
      Neuronal Signaling MedChem Express HY-18163
      Neuronal Signaling; MedChem Express HY-18163
      Neuroscience TargetMol T1945

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.22
ACD/KOC (pH 5.5): 875.44
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.01
ACD/KOC (pH 7.4): 892.59
Polar Surface Area: 89 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 315.7±3.0 cm3

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