Compound Detail
CHEMBL2425736
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Basic Information
| ChEMBL ID | CHEMBL2425736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMIAMHVCKPWEGD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
5.42
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.39 | 8.67 | 0.4 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.077 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.41 | nM | 9.39 | Inhibition of wild type human EGFR tyrosine kinase assessed as Ulight-CAGAGAIETD... | 23988354 |
| Epidermal growth factor receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated f... | 23988354 |
| Epidermal growth factor receptor | IC50 | = | 14.1 | nM | 7.85 | Inhibition of wild type EGFR autophosphorylation in human A549 cells incubated f... | 23988354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23988354 | 10.1016/j.bmcl.2013.08.008 | Epidermal growth factor receptor | 6 |
| 23988354 | 10.1016/j.bmcl.2013.08.008 | A549 | 4 |
| 23988354 | 10.1016/j.bmcl.2013.08.008 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine