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Name | CHEMBL2164580 |
---|---|
Molecular formula | C25H22F3N5O3S |
IUPAC name | 3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazole |
Molecular weight | 529.538 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50394613 |
Inchi Key | HJHALJRMWAGDCO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22F3N5O3S/c1-24(2,3)16-8-10-17(11-9-16)37(34,35)33-13-15-7-12-20(25(26,27)28)31-22(15)30-19-6-4-5-18(21(19)33)23-29-14-36-32-23/h4-12,14H,13H2,1-3H3,(H,30,31) |
PubChem CID | 62707364 |
ChEMBL | CHEMBL2164580 |
IUPHAR | N/A |
BindingDB | 50394613 |
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 |
---|---|---|---|---|---|
116364 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
116365 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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