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Name | CHEMBL482018 |
---|---|
Molecular formula | C25H21Cl2F3N2O4S |
IUPAC name | (E)-3-[1-[(2,3-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide |
Molecular weight | 573.408 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50255126 3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide |
Inchi Key | HBOYIHIXTSNOBN-BQYQJAHWSA-N |
Inchi ID | InChI=1S/C25H21Cl2F3N2O4S/c1-25-9-3-5-14(24(25)32(22(34)12-25)13-15-4-2-6-16(26)23(15)27)7-8-21(33)31-37(35,36)20-11-18(29)17(28)10-19(20)30/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,31,33)/b8-7+ |
PubChem CID | 44570668 |
ChEMBL | CHEMBL482018 |
IUPHAR | N/A |
BindingDB | 50255126 |
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 |
---|---|---|---|---|---|
110735 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
110737 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
110736 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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