Compound Detail
CHEMBL5948678
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
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3c2C2CCC(C(C)(C)O)CC2N3)C1
Basic Information
| ChEMBL ID | CHEMBL5948678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLZKVDNHVSOPDD-WMUKIEHLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
2.48
ALogP
5
HBA
4
HBD
107.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.1 | nM | 10.0 | Human Recombinant Btk Enzyme Assay: To V-bottom 384-well plates were added test ... | - |
Data from ChEMBL 36 via Core Engine