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Name | CHEMBL3115385 |
---|---|
Molecular formula | C25H22F3N3O4 |
IUPAC name | 2-[4-[2-(3-phenoxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid |
Molecular weight | 485.463 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 3.8 |
Synonyms | BDBM50447480 |
Inchi Key | KAGBRIRYKHBMAE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34) |
PubChem CID | 76328697 |
ChEMBL | CHEMBL3115385 |
IUPHAR | N/A |
BindingDB | 50447480 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
164279 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
164280 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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