Compound Detail
CHEMBL5197765
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Basic Information
| ChEMBL ID | CHEMBL5197765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYOZWHIPVNJVRU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
2.78
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 444.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2000.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.24 | - | Homo sapiens |
| Fu | 0.07 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.83 | nM | 9.08 | Inhibition of BTK (unknown origin) | 35041943 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of CD69 expression on CD19 positive B cells in anti-IgD stimulated hu... | 35041943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35041943 | 10.1016/j.bmcl.2022.128549 | ADMET | 4 |
| 35041943 | 10.1016/j.bmcl.2022.128549 | Tyrosine-protein kinase BTK | 2 |
| 35041943 | 10.1016/j.bmcl.2022.128549 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine