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Ligand

NameCHEMBL3828182
Molecular formulaC26H31ClFNO5
IUPAC name6-[1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
Molecular weight491.984
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP1.5
SynonymsSCHEMBL16844556
BDBM50190160
Inchi KeyATIPCJDOSKJVMW-FNWJCADVSA-N
Inchi IDInChI=1S/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14?,16-,21?,22?,24?/m1/s1
PubChem CID118181526
ChEMBLCHEMBL3828182
IUPHARN/A
BindingDB50190160
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
521870Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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