Compound Detail
CHEMBL5556300
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 | CHEMBL5556300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKZVBLHKFOJZEU-YOEHRIQHSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.02
ALogP
7
HBA
0
HBD
77.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 827.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 133.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.72 | nM | 8.76 | Inhibition of CD69 expression on CD19+ B-cells in human whole blood pretreated f... | 38712838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38712838 | 10.1021/acs.jmedchem.4c00220 | ADMET | 4 |
| 38712838 | 10.1021/acs.jmedchem.4c00220 | Tyrosine-protein kinase BTK | 1 |
| 38712838 | 10.1021/acs.jmedchem.4c00220 | Unchecked | 1 |
| 38712838 | 10.1021/acs.jmedchem.4c00220 | TMD8 | 1 |
Data from ChEMBL 36 via Core Engine