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Ligand

NameCHEMBL2403667
Molecular formulaC18H16N2OS
IUPAC name5-cyclopentyl-2-(2-phenylethynyl)-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
Molecular weight308.399
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50437089
Inchi KeyAGRUDEKFABIJBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16N2OS/c21-18-17-15(12-20(18)14-8-4-5-9-14)19-16(22-17)11-10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-9,12H2
PubChem CID71712576
ChEMBLCHEMBL2403667
IUPHARN/A
BindingDB50437089
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
5150Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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