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Name | CHEMBL3356407 |
---|---|
Molecular formula | C25H28F3N3O5 |
IUPAC name | 2-[(5R)-4-[2-[3-(3,3-dimethylbutanoyloxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid |
Molecular weight | 507.51 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | 8-(Trifluoromethyl)-2,3,4,5-tetrahydro-4-[[3-(3,3-dimethylbutyryloxy)phenyl]acetyl]-1H-pyrido[2,3-e][1,4]diazepine-5alpha-acetic acid BDBM50041420 |
Inchi Key | MEKDARVTPYLDOP-GOSISDBHSA-N |
Inchi ID | InChI=1S/C25H28F3N3O5/c1-24(2,3)14-22(35)36-16-6-4-5-15(11-16)12-20(32)31-10-9-29-23-17(18(31)13-21(33)34)7-8-19(30-23)25(26,27)28/h4-8,11,18H,9-10,12-14H2,1-3H3,(H,29,30)(H,33,34)/t18-/m1/s1 |
PubChem CID | 118721525 |
ChEMBL | CHEMBL3356407 |
IUPHAR | N/A |
BindingDB | 50041420 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
449690 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
449691 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
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