Compound Detail
CHEMBL1947121
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COc1cc2ncc(C(=O)NC3CC(C)(C)N([O])C(C)(C)C3)c(Nc3ccc(F)c(Cl)c3)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL1947121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYERHRWQQVHNFN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
530.0
MW (Da)
5.89
ALogP
6
HBA
2
HBD
95.6
PSA (Ų)
0.41
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.38 | 6.38 | 422.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.42 | 4.42 | 38140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 422.0 | nM | 6.38 | Inhibition of EGFR after 50 mins by HTRF assay | 22309911 |
| A-431 | IC50 | = | 38140.0 | nM | 4.42 | 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