Compound Detail
CHEMBL1829844
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Cc1c(CC(=O)NC(Cc2ccccc2)C(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12
Basic Information
| ChEMBL ID | CHEMBL1829844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWXAIXFBGNHMQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
4.81
ALogP
5
HBA
2
HBD
109.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.03 | nM | 10.52 | Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA | 21864947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21864947 | 10.1016/j.ejmech.2011.07.032 | Unchecked | 8 |
Data from ChEMBL 36 via Core Engine