Compound Detail
CHEMBL6031063
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Basic Information
| ChEMBL ID | CHEMBL6031063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQUQOLJFVODMTO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
3.79
ALogP
7
HBA
2
HBD
123.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.19 | 8.5675 | 0.6 | 4 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.41 | 5.41 | 3890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.64 | nM | 9.19 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 2.6 | nM | 8.59 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 2.6 | nM | 8.59 | LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 12.5 | nM | 7.9 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Epidermal growth factor receptor | IC50 | = | 3890.0 | nM | 5.41 | Human EGFR LanthaScreen Selectivity Assay: TR-FRET LanthaScreen assays were perf... | - |
Data from ChEMBL 36 via Core Engine