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Name | CHEMBL378061 |
---|---|
Molecular formula | C24H27N3O3 |
IUPAC name | 2-[(3S,5R)-5-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid |
Molecular weight | 405.498 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 2.1 |
Synonyms | BDBM50185531 SCHEMBL3497459 2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid |
Inchi Key | DOAHOEVWZUKZMM-LAUBAEHRSA-N |
Inchi ID | InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 |
PubChem CID | 44413430 |
ChEMBL | CHEMBL378061 |
IUPHAR | N/A |
BindingDB | 50185531 |
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 |
---|---|---|---|---|---|
64838 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
64840 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
64836 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
64837 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
64839 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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