Compound Detail
CHEMBL5087994
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C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=C)C
Basic Information
| ChEMBL ID | CHEMBL5087994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWZFRGUEGWIAQH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.77
ALogP
10
HBA
3
HBD
112.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.4 | 6.0333 | 397.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 397.0 | nM | 6.4 | Inhibition of EGFR T790M/C797S double mutant (unknown origin) using flurogenic s... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 625.4 | nM | 6.2 | Inhibition of EGFR del19 (unknown origin) using flurogenic substrate in presence... | 34794818 |
| Epidermal growth factor receptor | IC50 | = | 3184.0 | nM | 5.5 | Inhibition of wild type EGFR (unknown origin) using flurogenic substrate in pres... | 34794818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34794818 | 10.1016/j.ejmech.2021.113984 | Epidermal growth factor receptor | 3 |
| 34794818 | 10.1016/j.ejmech.2021.113984 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine