Compound Detail
CHEMBL3358408
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(-c2cc(Nc3ccc(N4CCN(C5COC5)CC4)cn3)c(=O)n(C)c2)cccc1-n1ccc2cc(C3CC3)cc(F)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL3358408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFRWGHSIAPNITJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
632.7
MW (Da)
5.34
ALogP
9
HBA
1
HBD
84.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.77 | 6.73 | 171.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 171.0 | nM | 6.77 | Inhibition of BTK in human Ramos cells assessed as reduction in IgM-induced calc... | 25515957 |
| Tyrosine-protein kinase BTK | IC50 | = | 203.0 | nM | 6.69 | Inhibition of BTK (unknown origin) using biotin-labeled peptide substrate incuba... | 25515957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25515957 | 10.1016/j.bmc.2014.11.006 | Tyrosine-protein kinase BTK | 2 |
Data from ChEMBL 36 via Core Engine