Compound Detail
CHEMBL4461455
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Basic Information
| ChEMBL ID | CHEMBL4461455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAWFKHMTDSKZFM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
6.04
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) e... | 31368705 |
| Epidermal growth factor receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of N-terminal GST-tagged human EGFR (696 to end aminoacids) expressed... | 31368705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31368705 | 10.1021/acs.jmedchem.9b00794 | Tyrosine-protein kinase BTK | 1 |
| 31368705 | 10.1021/acs.jmedchem.9b00794 | Epidermal growth factor receptor | 1 |
| 31368705 | 10.1021/acs.jmedchem.9b00794 | Unchecked | 1 |
| 31368705 | 10.1021/acs.jmedchem.9b00794 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine