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Name | KRP 203-phosphate |
---|---|
Molecular formula | C23H25ClNO6PS |
IUPAC name | [2-amino-4-[2-chloro-4-(3-phenoxyphenyl)sulfanylphenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate |
Molecular weight | 509.938 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.0 |
Synonyms | GTPL2923 [2-amino-2-(2-{2-chloro-4-[(3-phenoxyphenyl)sulfanyl]phenyl}ethyl)-3-hydroxypropoxy]phosphonic acid D0U7YK SCHEMBL20478074 |
Inchi Key | BZVUYJGCYLMFGX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H25ClNO6PS/c24-22-14-21(10-9-17(22)11-12-23(25,15-26)16-30-32(27,28)29)33-20-8-4-7-19(13-20)31-18-5-2-1-3-6-18/h1-10,13-14,26H,11-12,15-16,25H2,(H2,27,28,29) |
PubChem CID | 56947075 |
ChEMBL | N/A |
IUPHAR | 2923 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
553431 | Sphingosine 1-phosphate receptor 1 | O08530 | S1pr1 | Mus musculus (Mouse) | 382 |
553430 | Sphingosine 1-phosphate receptor 4 | Q9Z0L1 | S1pr4 | Mus musculus (Mouse) | 386 |
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