Compound Detail
CHEMBL377545
CHROME AZUROL S Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=C/C(=C(/c2cc(C)c(O)c(C(=O)[O-])c2)c2c(Cl)ccc(S(=O)(=O)[O-])c2Cl)C=C(C(=O)[O-])C1=O.[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL377545 |
| Name | CHROME AZUROL S |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUIZKNBTOOKONL-DPSBJRLESA-K |
| Parent Compound | CHEMBL1207253 |
| Active Moiety | CHEMBL1207253 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
539.4
MW (Da)
4.29
ALogP
6
HBA
4
HBD
166.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor NF-kappa-B p105 subunit | EC50 | = | 100000.0 | nM | 4.0 | Inhibition of human NF-kappaB p50/DNA interaction using 32P-labeled oligonucleot... | 23414143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1704066 | 10.1021/jm00105a053 | Human immunodeficiency virus 1 | 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