Compound Detail
CHEMBL5201319
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Basic Information
| ChEMBL ID | CHEMBL5201319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLRZBLZJXDMWHV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.14
ALogP
8
HBA
1
HBD
108.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.72 | 6.69 | 191.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 191.0 | nM | 6.72 | Inhibition of BTK C481S mutant (unknown origin) expressed in baculovirus infecte... | 35594541 |
| Tyrosine-protein kinase BTK | IC50 | = | 219.0 | nM | 6.66 | Inhibition of His-tagged full-length recombinant wild-type human BTK (Ala2 to Se... | 35594541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35594541 | 10.1021/acs.jmedchem.2c00030 | Tyrosine-protein kinase BTK | 5 |
Data from ChEMBL 36 via Core Engine