Compound Detail
CHEMBL270214
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Basic Information
| ChEMBL ID | CHEMBL270214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJNRDQBWQKYWQP-QGZVFWFLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.70
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.235 | 2171.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2171.0 | nM | 5.66 | Inhibition of NF-kappaB-mediated transcription in human HepG cells | 18077159 |
| Unchecked | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of GRE-mediated transcription in human HepG cells | 18077159 |
| Unchecked | IC50 | = | 9776.0 | nM | 5.01 | Inhibition of AP1-mediated transcription in human HepG cells | 18077159 |
| Unchecked | IC50 | = | 12025.0 | nM | 4.92 | Inhibition of CRE-mediated transcription in human HepG cells | 18077159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077159 | 10.1016/j.bmcl.2007.11.054 | Unchecked | 11 |
| 18077159 | 10.1016/j.bmcl.2007.11.054 | NON-PROTEIN TARGET | 1 |
| 18077159 | 10.1016/j.bmcl.2007.11.054 | PANC-1 | 1 |
| 18077159 | 10.1016/j.bmcl.2007.11.054 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine