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Name | 106674-03-7 |
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Molecular formula | C27H20N2O8S |
IUPAC name | 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate |
Molecular weight | 532.523 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | A801509 Benzyl 7-(Methoxycarbonyl)-3,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate NSC 679525 ACMC-20byhi cid_386817 [ Show all ] |
Inchi Key | AVADCSIAVBNFKV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3 |
PubChem CID | 386817 |
ChEMBL | CHEMBL1700880 |
IUPHAR | N/A |
BindingDB | 81250 |
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 |
---|---|---|---|---|---|
15126 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
15129 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
15127 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
15128 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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