Compound Detail
CHEMBL163609
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Basic Information
| ChEMBL ID | CHEMBL163609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHUZDSAWNBLTFZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.63
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H69 CHEMBL614805 | IC50 | 8.49 | 7.7 | 3.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H69 | IC50 | = | 3.2 | nM | 8.49 | Inhibitory activity against drug resistant H69/LX4 line overexpressing P-glycopr... | 11806725 |
| NCI-H69 | IC50 | = | 123.0 | nM | 6.91 | Inhibitory activity against parental human small cell lung carcinoma cell line (... | 11806725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11806725 | 10.1021/jm010330+ | NCI-H69 | 2 |
Data from ChEMBL 36 via Core Engine