Compound Detail
CHEMBL5089513
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Basic Information
| ChEMBL ID | CHEMBL5089513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTCRGSIVCHZGQF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
4.09
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 6.42 | 6.42 | 382.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 382.0 | nM | 6.42 | Antiproliferative activity against human Raji 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