Compound Detail
CHEMBL56802
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Basic Information
| ChEMBL ID | CHEMBL56802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSVNNWQHWIOIOC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.70
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.34 | 8.32 | 4.6 | 2 |
| KB 3-1 CHEMBL614590 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human recombinant EGFR | 19170633 |
| Epidermal growth factor receptor | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory activity against Epidermal growth factor receptor (EGFR-TK) ... | 11459659 |
| KB 3-1 | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory activity against EGF-stimulated proliferation of KB2 cells i... | 11459659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 2 |
| 11459659 | 10.1016/s0960-894x(01)00344-4 | Epidermal growth factor receptor | 1 |
| 11459659 | 10.1016/s0960-894x(01)00344-4 | KB 3-1 | 1 |
| 21033670 | 10.1021/jm1009605 | Calf thymus DNA | 1 |
| 21033670 | 10.1021/jm1009605 | Nucleic Acid | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine