Compound Detail
CHEMBL5194245
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CCC(=O)N[C@H]1CC[C@H](n2c(=O)c(-c3ccccc3Cl)cc3ccc(Nc4ccc(N5CCN(C)CC5)c(C)c4)cc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5194245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOLFYHIWNJVNRR-XQESHEEFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
612.2
MW (Da)
7.14
ALogP
6
HBA
2
HBD
69.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.42 | 7.42 | 38.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 38.1 | nM | 7.42 | 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