Compound Detail
CHEMBL5282557
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Basic Information
| ChEMBL ID | CHEMBL5282557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVUNVZJAZOJWRZ-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
6.60
ALogP
5
HBA
2
HBD
72.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.8 | 6.8 | 157.6 | 1 |
| A549 CHEMBL392 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| HBL-100 CHEMBL614811 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | IC50 | = | 10.0 | nM | 8.0 | Cytotoxicity against rat H9c2 cells assessed as cell growth inhibition incubated... | 32739648 |
| Epidermal growth factor receptor | IC50 | = | 157.63 | nM | 6.8 | Inhibition of EGFR (unknown origin) by microplate reader analysis | 32739648 |
| A549 | IC50 | = | 1060.0 | nM | 5.97 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 32739648 |
| NCI-H1299 | IC50 | = | 1320.0 | nM | 5.88 | Antiproliferative activity against human NCI-H1299 cells assessed as cell growth... | 32739648 |
| MDA-MB-231 | IC50 | = | 1930.0 | nM | 5.71 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell growt... | 32739648 |
| HBL-100 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human HBL-100 cells assessed as cell growth inhibition incu... | 32739648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32739648 | 10.1016/j.ejmech.2020.112640 | A549 | 2 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | Epidermal growth factor receptor | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | MDA-MB-231 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | NCI-H1299 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | H9c2 | 1 |
| 32739648 | 10.1016/j.ejmech.2020.112640 | HBL-100 | 1 |
Data from ChEMBL 36 via Core Engine