Compound 1
Identifiers
- Canonical SMILES:
CC(C)C(=O)c1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(O)c(O)c1O
- IUPAC name:
2-methyl-1-[2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl]propan-1-one
- InChi:
InChI=1S/C23H20O6/c1-13(2)19(24)17-12-18(22(27)23(28)21(17)26)20(25)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-13,26-28H,1-2H3
- InChiKey:
CVVQMBDTMYUWTR-UHFFFAOYSA-N
External links
 24801007 |
 CHEMBL259033 |
 23326307 |
External search
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Bibliography (1)
| Publication | Name |
|---|---|
| Tang G, Nikolovska-Coleska Z, Qiu S, Yang CY, Guo J, Wang S. . Acylpyrogallols as inhibitors of antiapoptotic Bcl-2 proteins. Journal of medicinal chemistry. | 7 |
Pharmacological data
| Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|
| 2 | 0 | 0 | 0 |
Targets
| PPI family | Best activity | Diseases | MMoA |
|---|---|---|---|
| BCL2-Like / BAX | 5.59 | cancer | Inhibition |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 392.13 g/mol | |||
| HBA | 6 | |||
| HBD | 3 | |||
| HBA + HBD | 9 | |||
| AlogP | 6.12 | |||
| TPSA | 104.06 | |||
| RB | 6 |