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Name | [3H]-Iloprost |
---|---|
Molecular formula | C22H32O4 |
IUPAC name | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-1-tritio-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid |
Molecular weight | 362.502 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.8 |
Synonyms | GTPL1966 [3H]iloprost (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-1-tritio-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid [3H]ventavis [3H]ciloprost |
Inchi Key | HIFJCPQKFCZDDL-URMZZKEUSA-N |
Inchi ID | InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1/i12T/t12?,15?,17-,18+,19-,20+,21+ |
PubChem CID | 53320668 |
ChEMBL | N/A |
IUPHAR | 1966 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
553855 | Prostacyclin receptor | P43253 | Ptgir | Rattus norvegicus (Rat) | 416 |
553856 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
553857 | Prostacyclin receptor | P43252 | Ptgir | Mus musculus (Mouse) | 415 |
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