Compound Detail
CHEMBL5074579
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Basic Information
| ChEMBL ID | CHEMBL5074579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHFXBOBPFJZFMC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
4.39
ALogP
3
HBA
2
HBD
40.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.37
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 43.0 | nM | 7.37 | Antiproliferative activity against human Raji cells assessed as reduction in cel... | 35084853 |
| A2780S | IC50 | = | 63.0 | nM | 7.2 | Antiproliferative activity against human A2780S cells assessed as reduction in c... | 35084853 |
| MCF7 | IC50 | = | 73.0 | nM | 7.14 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 35084853 |
| NCI-H460 | IC50 | = | 87.0 | nM | 7.06 | Antiproliferative activity against human NCI-H460 cells assessed as reduction in... | 35084853 |
| HeLa | IC50 | = | 93.0 | nM | 7.03 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 35084853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35084853 | 10.1021/acs.jmedchem.1c02159 | MCF7 | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | HeLa | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | Raji | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | NCI-H460 | 1 |
| 35084853 | 10.1021/acs.jmedchem.1c02159 | A2780S | 1 |
Data from ChEMBL 36 via Core Engine