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Name | CHEMBL2179481 |
---|---|
Molecular formula | C20H15F6N3O2S2 |
IUPAC name | 7,8-dimethyl-2-(trifluoromethyl)-6-[5-(trifluoromethyl)thiophen-3-yl]sulfonyl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine |
Molecular weight | 507.469 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 1 |
XlogP | 5.3 |
Synonyms | BDBM50400238 SCHEMBL1090487 |
Inchi Key | KKZDYVMERDWSLD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H15F6N3O2S2/c1-10-3-5-14-17(11(10)2)29(33(30,31)13-7-16(32-9-13)20(24,25)26)8-12-4-6-15(19(21,22)23)28-18(12)27-14/h3-7,9H,8H2,1-2H3,(H,27,28) |
PubChem CID | 59618658 |
ChEMBL | CHEMBL2179481 |
IUPHAR | N/A |
BindingDB | 50400238 |
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 |
---|---|---|---|---|---|
171681 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
171682 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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