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Name | CHEMBL3401382 |
---|---|
Molecular formula | C30H36FN3O6S |
IUPAC name | 4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide |
Molecular weight | 585.691 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.3 |
Synonyms | BDBM50065610 SCHEMBL15910776 |
Inchi Key | PDOBCVXPCZCZNH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H36FN3O6S/c1-3-21(4-2)20-30(36)13-15-34(16-14-30)29(35)33-23-17-26(39-24-7-5-22(31)6-8-24)19-27(18-23)40-25-9-11-28(12-10-25)41(32,37)38/h5-12,17-19,21,36H,3-4,13-16,20H2,1-2H3,(H,33,35)(H2,32,37,38) |
PubChem CID | 90308914 |
ChEMBL | CHEMBL3401382 |
IUPHAR | N/A |
BindingDB | 50065610 |
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 |
---|---|---|---|---|---|
451811 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
451813 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
451812 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
451810 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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