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Ligand

NameCHEMBL1734260
Molecular formulaC26H29N3O5S
IUPAC namemethyl 2-[[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]amino]benzoate
Molecular weight495.594
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsMolPort-007-831-367
HMS1883E14
ZINC8603709
AKOS002025976
MCULE-3737392835
[ Show all ]
Inchi KeyAGVNIWOMZLFSQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5S/c1-4-20-23(18-11-9-17(2)10-12-18)35(32,33)28-24(20)29-15-13-19(14-16-29)25(30)27-22-8-6-5-7-21(22)26(31)34-3/h5-12,19H,4,13-16H2,1-3H3,(H,27,30)
PubChem CID16026196
ChEMBLCHEMBL1734260
IUPHARN/A
BindingDBN/A
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
463514Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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