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Name | CHEMBL210345 |
---|---|
Molecular formula | C21H21N5O3 |
IUPAC name | 3-[4-[2-(3-cyano-4-propan-2-yloxyphenyl)tetrazol-5-yl]-3-methylphenyl]propanoic acid |
Molecular weight | 391.431 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | 3-(4-(2-(3-cyano-4-isopropoxyphenyl)-2H-tetrazol-5-yl)-3-methylphenyl)propanoic acid BDBM50186393 |
Inchi Key | GBZQYCVJSLHSGD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H21N5O3/c1-13(2)29-19-8-6-17(11-16(19)12-22)26-24-21(23-25-26)18-7-4-15(10-14(18)3)5-9-20(27)28/h4,6-8,10-11,13H,5,9H2,1-3H3,(H,27,28) |
PubChem CID | 44412578 |
ChEMBL | CHEMBL210345 |
IUPHAR | N/A |
BindingDB | 50186393 |
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 |
---|---|---|---|---|---|
92758 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
92756 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
92757 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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