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Name | CHEMBL423803 |
---|---|
Molecular formula | C24H22N6O6S2 |
IUPAC name | 3-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitroanilino]carbamothioylamino]benzoic acid |
Molecular weight | 554.596 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 4.4 |
Synonyms | 3-[2-[2-Nitro-4-[2-(1H-indole-3-yl)ethylsulfamoyl]phenyl]hydrazinocarbonothioylamino]benzoic acid BDBM50097737 |
Inchi Key | MPYPGKMTMWSHCR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)27-24(37)29-28-21-9-8-18(13-22(21)30(33)34)38(35,36)26-11-10-16-14-25-20-7-2-1-6-19(16)20/h1-9,12-14,25-26,28H,10-11H2,(H,31,32)(H2,27,29,37) |
PubChem CID | 44375212 |
ChEMBL | CHEMBL423803 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
211531 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
211530 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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