Compound Detail
CHEMBL3968222
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Basic Information
| ChEMBL ID | CHEMBL3968222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEEJRWBTNZCBHF-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.29
ALogP
5
HBA
2
HBD
105.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.85 | 9.85 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.14 | nM | 9.85 | Time-Resolved Fluorescence Resonance Energy Transfer Assay: Compounds disclosed ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.14 | nM | 9.85 | Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) ... | 31381333 |
| Tyrosine-protein kinase BTK | IC50 | = | 0.14 | nM | 9.85 | Kinase Assay: Compounds disclosed herein were tested for inhibition of Btk kinas... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.14 | nM | 9.85 | Kinase Assay: Compounds disclosed herein were tested for inhibition of Btk kinas... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31381333 | 10.1021/acs.jmedchem.9b00687 | Tyrosine-protein kinase BTK | 2 |
| 31381333 | 10.1021/acs.jmedchem.9b00687 | Epidermal growth factor receptor | 1 |
| 31381333 | 10.1021/acs.jmedchem.9b00687 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine