Compound Detail
CHEMBL210574
PYROCATECHOL VIOLET Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL210574 |
| Name | PYROCATECHOL VIOLET |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGPSVOAVAYJEIJ-XDHOZWIPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.73
ALogP
6
HBA
4
HBD
132.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 CHEMBL1293258 | IC50 | 5.49 | 5.49 | 3277.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mothers against decapentaplegic homolog 3 | IC50 | = | 3276.96 | nM | 5.49 | PUBCHEM_BIOASSAY: SMAD Transcription Factor Inhibitors Secondary Dose Response C... | - |
| Nuclear factor NF-kappa-B p105 subunit | EC50 | = | 50000.0 | nM | 4.3 | Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleot... | 23414143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759101 | 10.1021/jm050617x | Transcription factor p65 | 1 |
| 16759101 | 10.1021/jm050617x | Radical scavenging activity | 1 |
| 23414143 | 10.1021/jm3009647 | Nuclear factor NF-kappa-B p105 subunit | 1 |
Data from ChEMBL 36 via Core Engine