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Ligand

NameCHEMBL3093425
Molecular formulaC31H32ClF2N5O4S2
IUPAC name1-[3,3-bis(2-fluorophenyl)propyl]-3-[5-chloro-4-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
Molecular weight676.195
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50444173
Inchi KeyDFQQZWBQDDXPNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-9-11-22(12-10-21)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-23(24-5-1-3-7-26(24)33)25-6-2-4-8-27(25)34/h1-12,23H,13-20H2,(H2,35,41,42)(H,36,37,40)
PubChem CID72725337
ChEMBLCHEMBL3093425
IUPHARN/A
BindingDB50444173
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
58809Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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