Compound Detail
CHEMBL5933081
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Basic Information
| ChEMBL ID | CHEMBL5933081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRQXWVJKMWGRCE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.25
ALogP
7
HBA
2
HBD
99.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.26 | 7.26 | 55.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 55.0 | nM | 7.26 | Omnia Assay: ITK: This example describes continuous-read kinase assays to measur... | - |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 55.0 | nM | 7.26 | Omnia Assay Protocol : Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen a... | - |
| Epidermal growth factor receptor | IC50 | = | 5500.0 | nM | 5.26 | Omnia Assay: EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for pote... | - |
Data from ChEMBL 36 via Core Engine