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Ligand

NameCHEMBL9846
Molecular formulaC18H19N3O2S
IUPAC nameethyl 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoate
Molecular weight341.429
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50223860
SCHEMBL5803299
Inchi KeyCXCFEQQKTMRLKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19N3O2S/c1-2-23-17(22)13-3-7-15(8-4-13)24-16-9-5-14(6-10-16)21-18-19-11-12-20-18/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
PubChem CID11336790
ChEMBLCHEMBL9846
IUPHARN/A
BindingDB50223860
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
52655Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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