Compound Detail
CHEMBL1947124
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CC1(C)CC(C(=O)Nc2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)CC(C)(C)N1[O]
Basic Information
| ChEMBL ID | CHEMBL1947124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOVAIZPMGLENIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
5.72
ALogP
5
HBA
2
HBD
90.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of EGFR after 50 mins by HTRF assay | 22309911 |
| A-431 | IC50 | = | 24700.0 | nM | 4.61 | Cytotoxicity against human A431 cells after 72 hrs by MTT assay | 22309911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22309911 | 10.1016/j.ejmech.2012.01.021 | Epidermal growth factor receptor | 2 |
| 22309911 | 10.1016/j.ejmech.2012.01.021 | A-431 | 2 |
Data from ChEMBL 36 via Core Engine