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Name | CHEMBL206940 |
---|---|
Molecular formula | C21H21ClN2O4 |
IUPAC name | 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid |
Molecular weight | 400.859 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50186405 3-(4-(5-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid |
Inchi Key | AOXVYFLXNZEUPI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21ClN2O4/c1-12(2)27-18-8-6-15(11-17(18)22)21-23-20(24-28-21)16-7-4-14(10-13(16)3)5-9-19(25)26/h4,6-8,10-12H,5,9H2,1-3H3,(H,25,26) |
PubChem CID | 11603726 |
ChEMBL | CHEMBL206940 |
IUPHAR | N/A |
BindingDB | 50186405 |
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 |
---|---|---|---|---|---|
10696 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
10697 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
10695 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
10698 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
10694 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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