Compound Detail
CHEMBL83586
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Basic Information
| ChEMBL ID | CHEMBL83586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZVCYRZQSOTKPI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
2.53
ALogP
6
HBA
1
HBD
80.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COLO 205 CHEMBL614561 | IC50 | 5.44 | 5.44 | 3622.0 | 1 |
| HONE1 cell line CHEMBL614830 | IC50 | 5.38 | 5.38 | 4121.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.36 | 5.215 | 4407.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.12 | 5.12 | 7639.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COLO 205 | IC50 | = | 3622.0 | nM | 5.44 | Cell growth inhibition against colo 205 human colon cancer cells using tetrazoli... | 12036364 |
| HONE1 cell line | IC50 | = | 4121.0 | nM | 5.38 | Cell growth inhibition against Hone-1 human NPC cancer cells using MTS assay | 12036364 |
| Molecular identity unknown | IC50 | = | 4407.0 | nM | 5.36 | Cell growth inhibition against NUGC3 human stomach cancer cells using MTS assay | 12036364 |
| MCF7 | IC50 | = | 7639.0 | nM | 5.12 | Cell growth inhibition against MCF-7 human breast cancer cells using MTS assay | 12036364 |
| Molecular identity unknown | IC50 | = | 8535.0 | nM | 5.07 | Cell growth inhibition against HR, human gastric cancer cells using MTS assay | 12036364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036364 | 10.1021/jm010365+ | Unchecked | 3 |
| 12036364 | 10.1021/jm010365+ | Molecular identity unknown | 2 |
| 12036364 | 10.1021/jm010365+ | MES-SA/Dx5 | 2 |
| 12036364 | 10.1021/jm010365+ | COLO 205 | 1 |
| 12036364 | 10.1021/jm010365+ | HA22T cell line | 1 |
| 12036364 | 10.1021/jm010365+ | DLD-1 | 1 |
| 12036364 | 10.1021/jm010365+ | MCF7 | 1 |
| 12036364 | 10.1021/jm010365+ | DU-145 | 1 |
| 12036364 | 10.1021/jm010365+ | HONE1 cell line | 1 |
| 12036364 | 10.1021/jm010365+ | Tubulin alpha chain | 1 |
Data from ChEMBL 36 via Core Engine