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Ligand

NameCHEMBL3828329
Molecular formulaC28H35NO5
IUPAC name(1S,1aS,6bR)-6-[(1R)-1-[(2R)-3-(2-benzyl-2-methylpyrrolidin-1-yl)-2-hydroxypropoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight465.59
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.3
SynonymsBDBM50190163
SCHEMBL18167619
Inchi KeyAAAIGLFCNVJIAZ-DOVGANMCSA-N
Inchi IDInChI=1S/C28H35NO5/c1-17-10-11-21(22-23-24(27(31)32)26(23)34-25(17)22)18(2)33-16-20(30)15-29-13-7-12-28(29,3)14-19-8-5-4-6-9-19/h4-6,8-11,18,20,23-24,26,30H,7,12-16H2,1-3H3,(H,31,32)/t18-,20-,23+,24+,26+,28?/m1/s1
PubChem CID122636680
ChEMBLCHEMBL3828329
IUPHARN/A
BindingDB50190163
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
521438Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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