Compound Detail
CHEMBL5270090
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COc1cc(NC(=O)/C=C/c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL5270090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGBYGQBQLYBXCS-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.78
ALogP
8
HBA
2
HBD
113.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability | 36970141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36970141 | 10.1039/d2md00442a | HeLa | 1 |
Data from ChEMBL 36 via Core Engine