Compound Detail
CHEMBL4776448
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc2c(c(OC)c1OC)-c1cc3c(cc1[C@@H](NC(C)=O)CC2)OC/C3=C\c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4776448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXMJCNLRGKHSKO-NNDWLSIRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
5.44
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.39
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 4025.0 | nM | 5.39 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 32827941 |
| HaCaT | IC50 | = | 4370.0 | nM | 5.36 | Cytotoxicity against human HaCat cells assessed as reduction in cell growth incu... | 32827941 |
| Raji | IC50 | = | 4600.0 | nM | 5.34 | Antiproliferative activity against human Raji cells assessed as reduction in cel... | 32827941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32827941 | 10.1016/j.ejmech.2020.112724 | COLO357 | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | SW-620 | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | HEK293 | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | Raji | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | HaCaT | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | HeLa | 1 |
| 32827941 | 10.1016/j.ejmech.2020.112724 | PANC-1 | 1 |
Data from ChEMBL 36 via Core Engine