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Name | CHEMBL360064 |
---|---|
Molecular formula | C32H51N2O5P |
IUPAC name | [(3S)-3-(hexadecanoylamino)-4-[4-(pyridin-2-ylmethoxy)phenyl]butyl]phosphonic acid |
Molecular weight | 574.743 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 7.9 |
Synonyms | BDBM50150004 {(S)-3-Hexadecanoylamino-4-[4-(pyridin-2-ylmethoxy)-phenyl]-butyl}-phosphonic acid |
Inchi Key | DEJKWCWVWGRHDH-GDLZYMKVSA-N |
Inchi ID | InChI=1S/C32H51N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(35)34-29(23-25-40(36,37)38)26-28-19-21-31(22-20-28)39-27-30-17-15-16-24-33-30/h15-17,19-22,24,29H,2-14,18,23,25-27H2,1H3,(H,34,35)(H2,36,37,38)/t29-/m1/s1 |
PubChem CID | 44392834 |
ChEMBL | CHEMBL360064 |
IUPHAR | N/A |
BindingDB | 50150004 |
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 |
---|---|---|---|---|---|
57809 | Lysophosphatidic acid receptor 1 | Q92633 | LPAR1 | Homo sapiens (Human) | 364 |
57810 | Lysophosphatidic acid receptor 3 | Q9UBY5 | LPAR3 | Homo sapiens (Human) | 353 |
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