Compound Detail
CHEMBL4538066
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COc1cc2c(Nc3ccc(NC(=O)C(C4CCCCC4)N4Cc5ccccc5C4=O)cc3F)ncnc2cc1OCC1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL4538066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLVCKZUYPARMGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
666.8
MW (Da)
6.79
ALogP
8
HBA
2
HBD
108.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.75 | 6.75 | 179.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 179.6 | nM | 6.75 | Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR... | 31223440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223440 | 10.1021/acsmedchemlett.8b00564 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine