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Name | CHEMBL328474 |
---|---|
Molecular formula | C30H48NO6P |
IUPAC name | [(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-(4-prop-2-ynoxyphenyl)propyl] dihydrogen phosphate |
Molecular weight | 549.689 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 7.3 |
Synonyms | BDBM50146249 Phosphoric acid mono-[(S)-2-((Z)-octadec-9-enoylamino)-3-(4-prop-2-ynyloxy-phenyl)-propyl] ester |
Inchi Key | DYEIZFCEKFBLDA-BMMGBYBSSA-N |
Inchi ID | InChI=1S/C30H48NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(32)31-28(26-37-38(33,34)35)25-27-20-22-29(23-21-27)36-24-4-2/h2,11-12,20-23,28H,3,5-10,13-19,24-26H2,1H3,(H,31,32)(H2,33,34,35)/b12-11-/t28-/m0/s1 |
PubChem CID | 11512311 |
ChEMBL | CHEMBL328474 |
IUPHAR | N/A |
BindingDB | 50146249 |
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 |
---|---|---|---|---|---|
71929 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
71930 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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