Compound Detail
CHEMBL4102294
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Cc1c(-c2cc(Nc3ccncn3)c(=O)n(C)c2)cccc1N1CCc2c(sc3c2CCCC3)C1=O
Basic Information
| ChEMBL ID | CHEMBL4102294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCINCDRAPPDYJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.04
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 11.0 | nM | 7.96 | Inhibition of recombinant human full length His-tagged BTK expressed in baculovi... | 28626519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28626519 | 10.1021/acsmedchemlett.7b00103 | Tyrosine-protein kinase BTK | 1 |
| 28626519 | 10.1021/acsmedchemlett.7b00103 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine