Compound Detail
CHEMBL3946439
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
Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)c2ccc(F)cc2n(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL3946439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAMMVAOMGSPNHO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.0
MW (Da)
5.42
ALogP
6
HBA
3
HBD
123.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.21 | 9.21 | 0.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.62 | nM | 9.21 | Btk Enzyme Assay: To V-bottom 384-well plates were added test compounds, human r... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.62 | nM | 9.21 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.62 | nM | 9.21 | Enzyme Assay: To V-bottom 384-well plates were added test compounds, human recom... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.62 | nM | 9.21 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
Data from ChEMBL 36 via Core Engine