Compound Detail
CHEMBL4756023
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Basic Information
| ChEMBL ID | CHEMBL4756023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGJGITMOPYWSNC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.16
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.3 | 6.705 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 90.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human full-length N-terminal His6-tagged BTK expressed... | 32696648 |
| Tyrosine-protein kinase BTK | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of BTK in human whole blood assessed as reduction in BTK phosphorylat... | 32696648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32696648 | 10.1021/acs.jmedchem.0c00702 | Tyrosine-protein kinase BTK | 2 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | No relevant target | 2 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | Mast/stem cell growth factor receptor Kit | 1 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | Platelet-derived growth factor receptor beta | 1 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | Mitogen-activated protein kinase kinase kinase 19 | 1 |
| 32696648 | 10.1021/acs.jmedchem.0c00702 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine