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Name | CHEMBL215722 |
---|---|
Molecular formula | C22H41F2O5P |
IUPAC name | [(5S)-3,3-difluoro-2-hydroxy-2-oxo-1,2lambda5-oxaphospholan-5-yl]methyl octadecanoate |
Molecular weight | 454.536 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 8.2 |
Synonyms | BDBM50193516 1,1-difluoro-3(S)-hydroxyl-4-oleoyloxylbutane 1,3-cyclic phosphonate |
Inchi Key | CPQAPUVUTZHEAA-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C22H41F2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)28-19-20-18-22(23,24)30(26,27)29-20/h20H,2-19H2,1H3,(H,26,27)/t20-/m0/s1 |
PubChem CID | 44414935 |
ChEMBL | CHEMBL215722 |
IUPHAR | N/A |
BindingDB | 50193516 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
47584 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
47585 | Lysophosphatidic acid receptor 2 | Q9HBW0 | LPAR2 | Homo sapiens (Human) | 351 |
47586 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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