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Name | CHEMBL1951304 |
---|---|
Molecular formula | C25H23N3O4S |
IUPAC name | 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid |
Molecular weight | 461.536 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 2.4 |
Synonyms | MolPort-035-765-754 BDBM50364607 ZINC73277269 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid CS 2100 [ Show all ] |
Inchi Key | DWVJASHDNJMDNH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30) |
PubChem CID | 11977938 |
ChEMBL | CHEMBL1951304 |
IUPHAR | N/A |
BindingDB | 50364607 |
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 |
---|---|---|---|---|---|
70980 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
70984 | Sphingosine 1-phosphate receptor 1 | P48303 | S1pr1 | Rattus norvegicus (Rat) | 383 |
70981 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
70982 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
70983 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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