Compound Detail
CHEMBL4798086
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Basic Information
| ChEMBL ID | CHEMBL4798086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYEQBMSYFRCOTI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
4.19
ALogP
6
HBA
2
HBD
106.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.14
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | EC50 | 8.14 | 8.14 | 7.2 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | EC50 | = | 7.2 | nM | 8.14 | Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed... | 32527559 |
| Epidermal growth factor receptor | IC50 | = | 11.0 | nM | 7.96 | Inhibition of EGFR (unknown origin) expressed in baculovirus system using fluore... | 32527559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32527559 | 10.1016/j.bmcl.2020.127261 | Tyrosine-protein kinase BTK | 2 |
| 32527559 | 10.1016/j.bmcl.2020.127261 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine