ChemSpider 2D Image | mk-3697 | C23H21N5O3S

mk-3697

  • Molecular FormulaC23H21N5O3S
  • Average mass447.509 Da
  • Monoisotopic mass447.136505 Da
  • ChemSpider ID28424194

More details:

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

[2,3'-Bipyridine]-4-carboxamide, N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)- [ACD/Index Name]
1224846-01-8 [RN]
mk-3697
N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridin-4-carboxamid [German] [ACD/IUPAC Name]
N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide [ACD/IUPAC Name]
N-[(5,6-Diméthoxy-2-pyridinyl)méthyl]-5'-méthyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide [French] [ACD/IUPAC Name]
N-[(5,6-dimethoxypyridin-2-yl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-[2,3'-bipyridine]-4-carboxamide
[1224846-01-8] [RN]
compound 24 [PMID: 25248679]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3338865/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M8238285OA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      OX Receptor antagonist TargetMol T1913

    • Bio Activity:

      GPCR/G protein MedChem Express HY-12301
      GPCR/G Protein TargetMol T1913
      GPCR/G protein; MedChem Express HY-12301
      MK-3697 is an isonicotinamide small molecule, acting as a potent and selective Orexin 2 receptor antagonist with Ki = 0.95 nM. MedChem Express
      MK-3697 is an isonicotinamide small molecule, acting as a potent and selective Orexin 2 receptor antagonist with Ki = 0.95 nM.; IC50 value: 0.95 nM(Ki); Target: Orexin 2 receptor antagonist; MK-3697 is a highly potent, orally bioavailable selective orexin 2 receptor antagonists (2-SORAs) that possess acceptable profiles for clinical development. MedChem Express HY-12301
      MK-3697 is an isonicotinamide small molecule, acting as a potent and selective Orexin 2 receptor antagonist with Ki = 0.95 nM.;IC50 value: 0.95 nM(Ki);Target: Orexin 2 receptor antagonistMK-3697 is a highly potent, orally bioavailable selective orexin 2 receptor antagonists (2-SORAs) that possess acceptable profiles for clinical development. Herein we report additional SAR studies within the ?triaryl? amide 2-SORA series focused on improvements in compound stability in acidic media and time-dependent inhibition of CYP3A4. MK-3697 has improved stability and TDI profiles as well as excellent sleep efficacy across species. MedChem Express HY-12301
      Orexin 2 receptor TargetMol T1913
      Orexin Receptor (OX Receptor) MedChem Express HY-12301

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.22
ACD/KOC (pH 5.5): 368.98
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.61
ACD/KOC (pH 7.4): 374.20
Polar Surface Area: 127 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

Click to predict properties on the Chemicalize site


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