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Name | CHEMBL1734260 |
---|---|
Molecular formula | C26H29N3O5S |
IUPAC name | methyl 2-[[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]amino]benzoate |
Molecular weight | 495.594 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | methyl 2-[({1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxidoisothiazol-3-yl]piperidin-4-yl}carbonyl)amino]benzoate ZINC8603709 HMS1883E14 MolPort-007-831-367 MCULE-3737392835 [ Show all ] |
Inchi Key | AGVNIWOMZLFSQS-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 16026196 |
ChEMBL | CHEMBL1734260 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
463514 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218