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Name | CHEMBL1086672 |
---|---|
Molecular formula | C26H31N5OS |
IUPAC name | 5-[[2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]phenoxy]methyl]-1,2-dihydro-1,2,4-triazole-3-thione |
Molecular weight | 461.628 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 6.1 |
Synonyms | 5-((4''-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-yloxy)methyl)-1H-1,2,4-triazole-3(2H)-thione BDBM50316911 |
Inchi Key | BNGYBTOLZSFSOV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H31N5OS/c1-4-26(2,3)15-20-16-27-23(28-20)14-11-18-9-12-19(13-10-18)21-7-5-6-8-22(21)32-17-24-29-25(33)31-30-24/h5-10,12-13,16H,4,11,14-15,17H2,1-3H3,(H,27,28)(H2,29,30,31,33) |
PubChem CID | 46861857 |
ChEMBL | CHEMBL1086672 |
IUPHAR | N/A |
BindingDB | 50316911 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
28112 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
28113 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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