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Search term: NXZNYBUBXWWKCP-DNRQZRRGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | INCB-3284 | C26H31F3N4O4

INCB-3284

  • Molecular FormulaC26H31F3N4O4
  • Average mass520.544 Da
  • Monoisotopic mass520.229736 Da
  • ChemSpider ID28495668

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

0W6K09GAQB
887401-92-5 [RN]
Benzamide, N-[2-[[(3R)-1-[trans-4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
INCB-3284
N-[2-({(3R)-1-[trans-4-Hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-({(3R)-1-[trans-4-Hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]-3-pyrrolidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-({(3R)-1-[trans-4-Hydroxy-4-(6-méthoxy-3-pyridinyl)cyclohexyl]-3-pyrrolidinyl}amino)-2-oxoéthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
INCB 3284
MFCD28386146
N-?[2-?[[(3R)?-?1-?[trans-?4-?hydroxy-?4-?(6-?methoxy-?3-?pyridinyl)?cyclohexyl]?-?3-?pyrrolidinyl]?amino]?-?2-?oxoethyl]?-?3-?(trifluoromethyl)?-Benzamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      CCR MedChem Express HY-15450A
      GPCR/G protein MedChem Express HY-15450A
      GPCR/G protein; Immunology/Inflammation; MedChem Express HY-15450A
      INCB 3284 is a potent, selective and orally bioavailable hCCR2 antagonist with IC50 of 3.7 nM(inhibition of monocyte chemoattractant protein-1 binding to hCCR2).; IC50 value: 3.7 nM [1]; Target: CCR2 antagonist; INCB 3284 exhibited an IC50 of 3.7 nM in antagonism of monocyte chemoattractant protein-1 binding to hCCR2, an IC50 of 4.7 nM in antagonism of chemotaxis activity, an IC50 of 84 ?M in inhibition of the hERG potassium current, a free fraction of 58% in protein binding, high selectivity over other chemokine receptors and G-protein-coupled receptors, and acceptable oral bioavailability in rodents and primates. MedChem Express HY-15450A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.14
Polar Surface Area: 104 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

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