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Name | CHEMBL2023114 |
---|---|
Molecular formula | C26H22F6N4O4S |
IUPAC name | N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]cyclobutane-1-carboxamide |
Molecular weight | 600.536 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | BDBM50381919 SCHEMBL1091426 |
Inchi Key | JQNQSUZSXLYJGX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35) |
PubChem CID | 59618711 |
ChEMBL | CHEMBL2023114 |
IUPHAR | N/A |
BindingDB | 50381919 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
157449 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
157450 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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