Compound Detail
CHEMBL4079624
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Basic Information
| ChEMBL ID | CHEMBL4079624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFRHLZHYZRXDIM-MGPUTAFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.36
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.05 | 4.05 | 89390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 89390.0 | nM | 4.05 | Cytotoxic activity against human A549 cells assessed as reduction in cell viabil... | 28011223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011223 | 10.1016/j.bmcl.2016.12.032 | SK-OV-3 | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | PC-3 | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | A549 | 1 |
Data from ChEMBL 36 via Core Engine