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Name | CHEMBL515603 |
---|---|
Molecular formula | C22H23N2O6P |
IUPAC name | [(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylphenoxy)anilino]propyl] dihydrogen phosphate |
Molecular weight | 442.408 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | -0.5 |
Synonyms | BDBM50249238 SCHEMBL14263186 (S)-2-amino-3-(4-(biphenyl-4-yloxy)phenylamino)-2-methyl-3-oxopropyl dihydrogen phosphate |
Inchi Key | BPFTXGAARBAJDP-QFIPXVFZSA-N |
Inchi ID | InChI=1S/C22H23N2O6P/c1-22(23,15-29-31(26,27)28)21(25)24-18-9-13-20(14-10-18)30-19-11-7-17(8-12-19)16-5-3-2-4-6-16/h2-14H,15,23H2,1H3,(H,24,25)(H2,26,27,28)/t22-/m0/s1 |
PubChem CID | 11690779 |
ChEMBL | CHEMBL515603 |
IUPHAR | N/A |
BindingDB | 50249238 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
29519 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
29517 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
29520 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
29518 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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