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Name | CHEMBL3401385 |
---|---|
Molecular formula | C31H36FN3O5 |
IUPAC name | N-[3-(2-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide |
Molecular weight | 549.643 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 5.6 |
Synonyms | BDBM50065613 SCHEMBL15910997 |
Inchi Key | OOEWZQSZRIHFOW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H36FN3O5/c1-3-21(4-2)20-31(38)13-15-35(16-14-31)30(37)34-23-17-25(39-24-11-9-22(32)10-12-24)19-26(18-23)40-28-8-6-5-7-27(28)29(33)36/h5-12,17-19,21,38H,3-4,13-16,20H2,1-2H3,(H2,33,36)(H,34,37) |
PubChem CID | 90309100 |
ChEMBL | CHEMBL3401385 |
IUPHAR | N/A |
BindingDB | 50065613 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
451413 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
451414 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
451411 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
451412 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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