Compound Detail
CHEMBL4779117
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COc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5cc(C(F)(F)F)ccc5Br)cc4c3)cc(C)nc12
Basic Information
| ChEMBL ID | CHEMBL4779117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTNOWLSYGASHHE-ZHSUKTGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
596.4
MW (Da)
7.32
ALogP
5
HBA
3
HBD
91.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| QGY-7703 CHEMBL4296490 | IC50 | 4.89 | 4.89 | 12740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| QGY-7703 | IC50 | = | 12740.0 | nM | 4.89 | Antiproliferative activity against human QGY-7703 cells assessed as reduction in... | 32717483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32717483 | 10.1016/j.ejmech.2020.112608 | HepG2 | 1 |
| 32717483 | 10.1016/j.ejmech.2020.112608 | QGY-7703 | 1 |
| 32717483 | 10.1016/j.ejmech.2020.112608 | SMMC-7721 | 1 |
| 32717483 | 10.1016/j.ejmech.2020.112608 | L02 | 1 |
Data from ChEMBL 36 via Core Engine