Compound Detail
CHEMBL163072
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Basic Information
| ChEMBL ID | CHEMBL163072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLMWMMUYBHLEFZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.62
ALogP
5
HBA
1
HBD
71.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H69 CHEMBL614805 | IC50 | 8.68 | 7.605 | 2.1 | 2 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.5 | 6.5 | 317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H69 | IC50 | = | 2.1 | nM | 8.68 | Inhibitory activity against drug resistant H69/LX4 line overexpressing P-glycopr... | 11806725 |
| Lewis lung carcinoma cell line | IC50 | = | 89.0 | nM | 7.05 | Inhibitory concentration to reduce cell number to 50% in a panel of cultured, mu... | 11806725 |
| NCI-H69 | IC50 | = | 294.0 | nM | 6.53 | Inhibitory activity against parental human small cell lung carcinoma cell line (... | 11806725 |
| NON-PROTEIN TARGET | IC50 | = | 317.0 | nM | 6.5 | Inhibitory concentration to reduce cell number to 50% in a panel of cultured, wi... | 11806725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806725 | 10.1021/jm010330+ | Unchecked | 2 |
| 11806725 | 10.1021/jm010330+ | NCI-H69 | 2 |
| 11806725 | 10.1021/jm010330+ | Lewis lung carcinoma cell line | 1 |
| 11806725 | 10.1021/jm010330+ | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine