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Name | CHEMBL3618196 |
---|---|
Molecular formula | C31H27ClFN3O5 |
IUPAC name | N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide |
Molecular weight | 576.021 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.9 |
Synonyms | BDBM50120579 SCHEMBL15911131 |
Inchi Key | FMWIFZSAKGQXPC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H27ClFN3O5/c32-22-5-3-21(4-6-22)31(39)13-15-36(16-14-31)30(38)35-24-17-27(40-25-9-1-20(2-10-25)29(34)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H2,34,37)(H,35,38) |
PubChem CID | 90309206 |
ChEMBL | CHEMBL3618196 |
IUPHAR | N/A |
BindingDB | 50120579 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
473046 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
473047 | Sphingosine 1-phosphate receptor 2 | P47752 | S1pr2 | Rattus norvegicus (Rat) | 352 |
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