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Name | CHEMBL328016 |
---|---|
Molecular formula | C34H52NO6P |
IUPAC name | [(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-(4-phenylmethoxyphenyl)propyl] dihydrogen phosphate |
Molecular weight | 601.765 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 8.7 |
Synonyms | Phosphoric acid mono-[(S)-3-(4-benzyloxy-phenyl)-2-((Z)-octadec-9-enoylamino)-propyl] ester SCHEMBL13109871 VPC12249 BDBM50146231 |
Inchi Key | NJLPYJKKKSBCSK-WDCKUFQWSA-N |
Inchi ID | InChI=1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m0/s1 |
PubChem CID | 9960370 |
ChEMBL | CHEMBL328016 |
IUPHAR | N/A |
BindingDB | 50146231 |
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 |
---|---|---|---|---|---|
224898 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
490813 | Lysophosphatidic acid receptor 1 | P61793 | Lpar1 | Mus musculus (Mouse) | 364 |
224897 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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