Compound Detail
CHEMBL4277875
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Basic Information
| ChEMBL ID | CHEMBL4277875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APJMAQHTUILKLX-FQEVSTJZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
2.44
ALogP
6
HBA
3
HBD
103.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.72 | 8.435 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.9 | nM | 8.72 | Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 ... | 30290988 |
| Tyrosine-protein kinase BTK | IC50 | = | 7.0 | nM | 8.15 | Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human PBMC assessed ... | 30290988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30290988 | 10.1016/j.bmcl.2018.09.033 | Tyrosine-protein kinase BTK | 2 |
| 30290988 | 10.1016/j.bmcl.2018.09.033 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine