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Ligand

NameCHEMBL458516
Molecular formulaC28H27N5O6
IUPAC name2-(1,3-benzodioxol-5-ylmethylamino)-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
Molecular weight529.553
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM28012
trisubstituted pyrimidine analogue, 11m
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
Inchi KeyACUIVHWRXISZPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N5O6/c1-35-24-11-9-20(27(32-24)36-2)25-21(26(34)29-12-13-37-19-6-4-3-5-7-19)16-31-28(33-25)30-15-18-8-10-22-23(14-18)39-17-38-22/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,29,34)(H,30,31,33)
PubChem CID25218729
ChEMBLCHEMBL458516
IUPHARN/A
BindingDB28012
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1943Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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