Compound Detail
CHEMBL3942924
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CN(C)C(=O)N1CC=C(c2cc3c(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4CO)ncnc3[nH]2)CC1
Basic Information
| ChEMBL ID | CHEMBL3942924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVDAMMWKXCEZBD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
5.44
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.58 | 7.58 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 26.0 | nM | 7.58 | Biochemical Enzyme Assay: The inhibitory activity of the present compounds again... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 26.0 | nM | 7.58 | Inhibition of BTK (unknown origin) | 35594541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35594541 | 10.1021/acs.jmedchem.2c00030 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine