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Name | CHEMBL1669026 |
---|---|
Molecular formula | C36H39N3O6S |
IUPAC name | 1-[1-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]methyl]cyclopropyl]-3-(2,6-dimethylphenyl)sulfonylurea |
Molecular weight | 641.783 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 7.0 |
Synonyms | BDBM50335999 SCHEMBL2251367 2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide |
Inchi Key | BHZQADXHKGWFSX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H39N3O6S/c1-6-44-31-26-13-8-9-14-27(26)32(45-7-2)30-28(31)21-39(34(30)40)29-16-15-25(19-24(29)5)20-36(17-18-36)37-35(41)38-46(42,43)33-22(3)11-10-12-23(33)4/h8-16,19H,6-7,17-18,20-21H2,1-5H3,(H2,37,38,41) |
PubChem CID | 25019694 |
ChEMBL | CHEMBL1669026 |
IUPHAR | N/A |
BindingDB | 50335999 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
24228 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
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