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Ligand

NameSCHEMBL3500236
Molecular formulaC32H26ClNO4S
IUPAC name2-[[7-(4-chlorophenyl)-2H-thiochromene-3-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
Molecular weight556.073
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP7.1
SynonymsCHEMBL3718536
Inchi KeyRKVRVXSDGCEHBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H26ClNO4S/c33-27-12-10-23(11-13-27)24-8-9-25-17-26(20-39-30(25)18-24)31(35)34-29(32(36)37)16-21-6-14-28(15-7-21)38-19-22-4-2-1-3-5-22/h1-15,17-18,29H,16,19-20H2,(H,34,35)(H,36,37)
PubChem CID59335720
ChEMBLCHEMBL3718536
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
529937Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381

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