Compound Detail
CHEMBL5080737
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Basic Information
| ChEMBL ID | CHEMBL5080737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNSSCOQPQZXKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.67
ALogP
3
HBA
2
HBD
45.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human NCI-H460 cells assessed as reduction in... | 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