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Name | CHEMBL2164224 |
---|---|
Molecular formula | C27H26F3N5O4S |
IUPAC name | 2-[3-[6-(4-propan-2-ylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol |
Molecular weight | 573.591 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 2 |
XlogP | 4.7 |
Synonyms | BDBM50394608 |
Inchi Key | HIXSHJGNHTVZHI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H26F3N5O4S/c1-15(2)16-8-11-18(12-9-16)40(37,38)35-14-17-10-13-21(27(28,29)30)32-23(17)31-20-7-5-6-19(22(20)35)24-33-25(39-34-24)26(3,4)36/h5-13,15,36H,14H2,1-4H3,(H,31,32) |
PubChem CID | 25134007 |
ChEMBL | CHEMBL2164224 |
IUPHAR | N/A |
BindingDB | 50394608 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
116127 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
116128 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
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