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Name | CHEMBL2023110 |
---|---|
Molecular formula | C28H25F6N5O5S |
IUPAC name | 2-[3-[2-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]propan-2-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol |
Molecular weight | 657.588 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | BDBM50381915 SCHEMBL1085577 |
Inchi Key | IOPRPZOVTGPGQA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36) |
PubChem CID | 59618821 |
ChEMBL | CHEMBL2023110 |
IUPHAR | N/A |
BindingDB | 50381915 |
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 |
---|---|---|---|---|---|
138082 | Bombesin receptor subtype-3 | O54798 | Brs3 | Mus musculus (Mouse) | 399 |
138083 | Bombesin receptor subtype-3 | P32247 | BRS3 | Homo sapiens (Human) | 399 |
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