Compound Detail
CHEMBL210287
BROMOPYROGALLOL RED Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL210287 |
| Name | BROMOPYROGALLOL RED |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZBIQVXBGVBMFU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
558.2
MW (Da)
4.45
ALogP
7
HBA
4
HBD
145.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.29 | 4.29 | 51500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA | 20980154 |
| Radical scavenging activity | IC50 | = | 51500.0 | nM | 4.29 | Inhibition of superoxide radical scavenging activity | 16759101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759101 | 10.1021/jm050617x | Transcription factor p65 | 2 |
| 16759101 | 10.1021/jm050617x | Radical scavenging activity | 1 |
| 20980154 | 10.1016/j.bmc.2010.09.063 | Nuclear factor NF-kappa-B p105 subunit | 1 |
Data from ChEMBL 36 via Core Engine