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Name | CHEMBL173299 |
---|---|
Molecular formula | C22H34O5S |
IUPAC name | 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-4-phenylsulfanylbutyl)cyclopentyl]heptanoic acid |
Molecular weight | 410.569 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.8 |
Synonyms | 9alpha,11alpha,15-Trihydroxy-17-phenyl-18,19,20-trinor-17-thiaprostane-1-oic acid BDBM50085916 7-[3,5-Dihydroxy-2-(3-hydroxy-4-phenylsulfanyl-butyl)-cyclopentyl]-heptanoic acid |
Inchi Key | CHDOVUGJRCWTAC-HOPUUNBDSA-N |
Inchi ID | InChI=1S/C22H34O5S/c23-16(15-28-17-8-4-3-5-9-17)12-13-19-18(20(24)14-21(19)25)10-6-1-2-7-11-22(26)27/h3-5,8-9,16,18-21,23-25H,1-2,6-7,10-15H2,(H,26,27)/t16?,18-,19-,20+,21-/m1/s1 |
PubChem CID | 10251023 |
ChEMBL | CHEMBL173299 |
IUPHAR | N/A |
BindingDB | 50085916 |
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 |
---|---|---|---|---|---|
41882 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
41880 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
41884 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
41881 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
41885 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
41886 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
41883 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
41887 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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