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Name | CHEMBL2179475 |
---|---|
Molecular formula | C22H20F3N3O4S2 |
IUPAC name | 7,8-dimethyl-6-(4-methylsulfonylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine |
Molecular weight | 511.534 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | BDBM50400244 SCHEMBL1090452 |
Inchi Key | JQRBMCDLOPKBNY-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20F3N3O4S2/c1-13-4-10-18-20(14(13)2)28(12-15-5-11-19(22(23,24)25)27-21(15)26-18)34(31,32)17-8-6-16(7-9-17)33(3,29)30/h4-11H,12H2,1-3H3,(H,26,27) |
PubChem CID | 59618778 |
ChEMBL | CHEMBL2179475 |
IUPHAR | N/A |
BindingDB | 50400244 |
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 |
---|---|---|---|---|---|
157535 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
157536 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
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