Compound Detail
CHEMBL5190204
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CCC1CCN(c2ccc(-c3cc(F)c4c(c3)C(=O)N(C(C(=O)Nc3nccs3)c3ncn5c3CCC5)C4)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5190204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTIRTKLJXKZCNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
6.05
ALogP
7
HBA
1
HBD
83.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine