Compound Detail
CHEMBL162231
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Basic Information
| ChEMBL ID | CHEMBL162231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUMDRKNDTOXAPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
2.99
ALogP
6
HBA
2
HBD
87.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H69 CHEMBL614805 | IC50 | 7.58 | 7.565 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H69 | IC50 | = | 26.0 | nM | 7.58 | Cytotoxicity measured using the H69 parental (H69/P) human small cell lung carci... | 11806724 |
| NCI-H69 | IC50 | = | 28.0 | nM | 7.55 | Cytotoxicity measured using the drug resistant, P-glycoprotein (Pgp) expressing ... | 11806724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806724 | 10.1021/jm010329a | NCI-H69 | 3 |
Data from ChEMBL 36 via Core Engine