Compound Detail
CHEMBL2426289
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Basic Information
| ChEMBL ID | CHEMBL2426289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCDZZELKQHAKCK-SOFGYWHQSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.60
ALogP
8
HBA
2
HBD
96.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.6 | 5.9033 | 250.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.333 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibition of EGFR L858R/T790M double mutant phosphorylation in human NCI-H1975 ... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 390.0 | nM | 6.41 | Inhibition of EGFR exon 19 deletion activating mutant phosphorylation in human P... | 23930994 |
| Epidermal growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of wild type EGFR phosphorylation in human LoVo cells after 2 hrs by ... | 23930994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23930994 | 10.1021/jm400822z | Epidermal growth factor receptor | 3 |
| 23930994 | 10.1021/jm400822z | No relevant target | 2 |
| 23930994 | 10.1021/jm400822z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine