Compound Detail
CHEMBL5407178
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
Fc1cccc(CCn2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1
Basic Information
| ChEMBL ID | CHEMBL5407178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMANNKSMZSAGEQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
3.81
ALogP
8
HBA
2
HBD
96.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform epsilon | IC50 | = | 340.0 | nM | 6.47 | Inhibition of CK1epsilon (unknown origin) | 37204207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform epsilon | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Casein kinase I isoform delta | 1 |
| 37204207 | 10.1021/acs.jmedchem.2c01180 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine