Compound Detail
CHEMBL5575069
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Basic Information
| ChEMBL ID | CHEMBL5575069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNVQLFRCUVMHNB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.94
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| JIMT-1 CHEMBL4296443 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| A2780 CHEMBL614004 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 0.24 | nM | 9.62 | Cytotoxicity against human A2780 cells assessed as reduction in cell viability i... | 37804769 |
| MIA PaCa-2 | IC50 | = | 0.24 | nM | 9.62 | Cytotoxicity against human MIA PaCa-2 cells assessed as reduction in cell viabil... | 37804769 |
| K562 | IC50 | = | 0.24 | nM | 9.62 | Cytotoxicity against human K562 cells assessed as reduction in cell viability in... | 37804769 |
| JIMT-1 | IC50 | = | 0.24 | nM | 9.62 | Antiproliferative activity against human JIMT-1 cells assessed as reduction in c... | 37804769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37804769 | 10.1016/j.ejmech.2023.115844 | A2780 | 1 |
| 37804769 | 10.1016/j.ejmech.2023.115844 | MIA PaCa-2 | 1 |
| 37804769 | 10.1016/j.ejmech.2023.115844 | K562 | 1 |
| 37804769 | 10.1016/j.ejmech.2023.115844 | JIMT-1 | 1 |
Data from ChEMBL 36 via Core Engine