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Ligand

NameCHEMBL3828187
Molecular formulaC27H34ClNO6
IUPAC name(1S,1aS,6bR)-6-[(1R)-1-[(2R)-3-[[1-(2-chloro-4-methoxyphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight504.02
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.4
SynonymsSCHEMBL18167618
BDBM50190148
Inchi KeyAJYPYZIFYPVAAG-WUFDQLBWSA-N
Inchi IDInChI=1S/C27H34ClNO6/c1-14-6-9-19(21-22-23(26(31)32)25(22)35-24(14)21)15(2)34-13-17(30)12-29-27(3,4)11-16-7-8-18(33-5)10-20(16)28/h6-10,15,17,22-23,25,29-30H,11-13H2,1-5H3,(H,31,32)/t15-,17-,22+,23+,25+/m1/s1
PubChem CID122636679
ChEMBLCHEMBL3828187
IUPHARN/A
BindingDB50190148
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
521660Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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