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Ligand

NameCHEMBL276322
Molecular formulaC23H24ClN3O4S
IUPAC name1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
Molecular weight473.972
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsN-(beta-Hydroxyphenethyl)-1-(2-oxo-5-chloro-2,3-dihydrobenzothiazole-3-ylacetyl)-4-piperidinecarboxamide
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (2-hydroxy-2-phenyl-ethyl)-amide
BDBM50111650
Inchi KeyAXEBQNVEEPLLRV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O4S/c24-17-6-7-20-18(12-17)27(23(31)32-20)14-21(29)26-10-8-16(9-11-26)22(30)25-13-19(28)15-4-2-1-3-5-15/h1-7,12,16,19,28H,8-11,13-14H2,(H,25,30)
PubChem CID44271223
ChEMBLCHEMBL276322
IUPHARN/A
BindingDB50111650
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
16607Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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