Compound Detail
CHEMBL279329
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Basic Information
| ChEMBL ID | CHEMBL279329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPKWADQMZKTROC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.7
MW (Da)
4.93
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of human A431 cells by MTT assay | 17449254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17449254 | 10.1016/j.bmc.2007.04.008 | Epidermal growth factor receptor | 2 |
| 17449254 | 10.1016/j.bmc.2007.04.008 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine