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Name | CHEMBL377828 |
---|---|
Molecular formula | C26H29N3O3 |
IUPAC name | 2-[(3R,5R)-5-[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-3-yl]acetic acid |
Molecular weight | 431.536 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.0 |
Synonyms | BDBM50185526 SCHEMBL3496548 2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-3-yl)acetic acid |
Inchi Key | AEINVRKYWDZAKS-UZUQRXQVSA-N |
Inchi ID | InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 |
PubChem CID | 44413447 |
ChEMBL | CHEMBL377828 |
IUPHAR | N/A |
BindingDB | 50185526 |
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 |
---|---|---|---|---|---|
3500 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
3497 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
3499 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
3498 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
3501 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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