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Name | CHEMBL360397 |
---|---|
Molecular formula | C33H51N2O6P |
IUPAC name | [(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-[4-(pyridin-4-ylmethoxy)phenyl]propyl] dihydrogen phosphate |
Molecular weight | 602.753 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 7.7 |
Synonyms | BDBM50149999 Phosphoric acid mono-{2-((Z)-(S)-octadec-9-enoylamino)-3-[4-(pyridin-4-ylmethoxy)-phenyl]-propyl} ester |
Inchi Key | JKKRVAXVBXZCTF-KKUMVYOXSA-N |
Inchi ID | InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(36)35-31(28-41-42(37,38)39)26-29-18-20-32(21-19-29)40-27-30-22-24-34-25-23-30/h9-10,18-25,31H,2-8,11-17,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m0/s1 |
PubChem CID | 44392778 |
ChEMBL | CHEMBL360397 |
IUPHAR | N/A |
BindingDB | 50149999 |
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 |
---|---|---|---|---|---|
153099 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
153098 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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