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Name | CHEMBL161703 |
---|---|
Molecular formula | C24H22N6O6S2 |
IUPAC name | 4-[[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid |
Molecular weight | 554.596 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 4.4 |
Synonyms | 4-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonylamino]benzoic acid BDBM50097728 |
Inchi Key | RGFJSJMNIKMQHW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H22N6O6S2/c31-23(32)15-5-7-17(8-6-15)29-38(35,36)18-9-10-21(22(13-18)30(33)34)27-28-24(37)25-12-11-16-14-26-20-4-2-1-3-19(16)20/h1-10,13-14,26-27,29H,11-12H2,(H,31,32)(H2,25,28,37) |
PubChem CID | 44375063 |
ChEMBL | CHEMBL161703 |
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 |
---|---|---|---|---|---|
295312 | B2 bradykinin receptor | P25023 | Bdkrb2 | Rattus norvegicus (Rat) | 396 |
295313 | Gastrin/cholecystokinin type B receptor | P56481 | Cckbr | Mus musculus (Mouse) | 453 |
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