Compound Detail
CHEMBL362886
BENZOCARBAZOLEDIONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL362886 |
| Name | BENZOCARBAZOLEDIONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUFKSKNPYXEXIH-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
247.2
MW (Da)
2.94
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
EC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 6.37 | 6.06 | 430.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 430.0 | nM | 6.37 | Cytotoxicity against HeLa cell lines | 15369400 |
| HeLa | EC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human HeLa cells by MTT assay | 17098429 |
| MCF7 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | 34303812 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human H357 cells assessed as reduction in cell viability in... | 34303812 |
| MDA-MB-231 | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viabil... | 34303812 |
| HEK-293T | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against human HEK293T cells assessed as reduction in cell viability... | 34303812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31253531 | 10.1016/j.bmcl.2019.06.038 | HL-60 | 2 |
| 15369400 | 10.1021/jm049625o | HeLa | 1 |
| 17098429 | 10.1016/j.bmcl.2006.09.090 | HeLa | 1 |
| 17098429 | 10.1016/j.bmcl.2006.09.090 | P388 | 1 |
| 17098429 | 10.1016/j.bmcl.2006.09.090 | ADMET | 1 |
| 25127463 | 10.1016/j.bmc.2014.07.030 | Trypanosoma cruzi | 1 |
| 25127463 | 10.1016/j.bmc.2014.07.030 | Vero | 1 |
| 34303812 | 10.1016/j.bmcl.2021.128274 | HEK-293T | 1 |
| 34303812 | 10.1016/j.bmcl.2021.128274 | MDA-MB-231 | 1 |
| 34303812 | 10.1016/j.bmcl.2021.128274 | MCF7 | 1 |
| 34303812 | 10.1016/j.bmcl.2021.128274 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine