Compound Detail
CHEMBL3975962
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3975962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOZKKZPAUPZHEL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.52
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.82 | 7.82 | 15.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.95 | 4.94 | 11300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 15.1 | nM | 7.82 | Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovir... | 27994736 |
| NON-PROTEIN TARGET | IC50 | = | 11300.0 | nM | 4.95 | Antiproliferative activity against human Ramos cells after 48 hrs by CCK-8 assay | 27994736 |
| NON-PROTEIN TARGET | IC50 | = | 11800.0 | nM | 4.93 | Antiproliferative activity against human Raji cells after 48 hrs by CCK-8 assay | 27994736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994736 | 10.1021/acsmedchemlett.6b00235 | NON-PROTEIN TARGET | 2 |
| 27994736 | 10.1021/acsmedchemlett.6b00235 | Tyrosine-protein kinase JAK3 | 1 |
| 27994736 | 10.1021/acsmedchemlett.6b00235 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine