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Ligand

NameCHEMBL3827410
Molecular formulaC29H34N2O5
IUPAC name(1S,1aS,6bR)-6-[(1R)-1-[(2R)-2-hydroxy-3-[(2-methyl-1-quinolin-6-ylpropan-2-yl)amino]propoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight490.6
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50190161
SCHEMBL18167546
Inchi KeyAUFHCQRDMDDYPT-HAGOEZSISA-N
Inchi IDInChI=1S/C29H34N2O5/c1-16-7-9-21(23-24-25(28(33)34)27(24)36-26(16)23)17(2)35-15-20(32)14-31-29(3,4)13-18-8-10-22-19(12-18)6-5-11-30-22/h5-12,17,20,24-25,27,31-32H,13-15H2,1-4H3,(H,33,34)/t17-,20-,24+,25+,27+/m1/s1
PubChem CID122636607
ChEMBLCHEMBL3827410
IUPHARN/A
BindingDB50190161
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
521885Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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