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Name | CHEMBL3359519 |
---|---|
Molecular formula | C24H24F3NO4 |
IUPAC name | 2-[6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid |
Molecular weight | 447.454 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | 2-(7-(4-Isopropoxy-3-(trifluoromethyl)benzyloxy)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid BDBM50041980 SCHEMBL2017679 BCGUKCVQRODEEB-UHFFFAOYSA-N |
Inchi Key | BCGUKCVQRODEEB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H24F3NO4/c1-14(2)32-22-6-3-15(9-19(22)24(25,26)27)13-31-18-4-5-20-17(10-18)11-21-16(12-23(29)30)7-8-28(20)21/h3-6,9-11,14,16H,7-8,12-13H2,1-2H3,(H,29,30) |
PubChem CID | 58329611 |
ChEMBL | CHEMBL3359519 |
IUPHAR | N/A |
BindingDB | 50041980 |
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 |
---|---|---|---|---|---|
442459 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
442461 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
442457 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
442460 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
442458 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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