Compound Detail
CHEMBL5781756
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Basic Information
| ChEMBL ID | CHEMBL5781756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUMQZGBNXSVNG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.03
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.17 | nM | 9.77 | LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... | - |
| Epidermal growth factor receptor | IC50 | = | 7.9 | nM | 8.1 | TR-FRET LanthaScreen Assay: EGFR: TR-FRET LanthaScreen assays were performed by ... | - |
Data from ChEMBL 36 via Core Engine