Compound Detail
CHEMBL4076010
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Basic Information
| ChEMBL ID | CHEMBL4076010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WECAUVIWKBEGRA-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.17
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6670.0 | nM | 5.18 | Inhibition of LPS-induced NF-kappaB transcription (unknown origin) expressed in ... | 28522265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28522265 | 10.1016/j.bmc.2017.05.009 | Unchecked | 2 |
| 28835349 | 10.1016/j.bmc.2017.08.018 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | MCF7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | SW480 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HepG2 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | L02 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HEK-293T | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | RAW264.7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Mushroom tyrosinase | 1 |
| 28835349 | 10.1016/j.bmc.2017.08.018 | HepG2 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine