Compound Detail
CHEMBL255972
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
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)C(O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL255972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLOXHZBYVRDFJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
5.01
ALogP
7
HBA
2
HBD
88.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 970.0 | nM | 6.01 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 18325768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18325768 | 10.1016/j.bmcl.2008.02.033 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine