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Name | CHEMBL92593 |
---|---|
Molecular formula | C32H56NO6P |
IUPAC name | [(2S)-3-[4-(3-methylbutoxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate |
Molecular weight | 581.775 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 8.9 |
Synonyms | Phosphoric acid mono-[(S)-3-[4-(3-methyl-butoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester BDBM50146252 |
Inchi Key | IZCBSRVXYMBWHV-NRESKRBGSA-N |
Inchi ID | InChI=1S/C32H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(34)33-30(27-39-40(35,36)37)26-29-20-22-31(23-21-29)38-25-24-28(2)3/h11-12,20-23,28,30H,4-10,13-19,24-27H2,1-3H3,(H,33,34)(H2,35,36,37)/b12-11-/t30-/m0/s1 |
PubChem CID | 44325364 |
ChEMBL | CHEMBL92593 |
IUPHAR | N/A |
BindingDB | 50146252 |
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 |
---|---|---|---|---|---|
145191 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
145192 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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