Compound Detail
CHEMBL173365
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
Basic Information
| ChEMBL ID | CHEMBL173365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZARUKNQGJBWWBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
3.46
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA | 21864947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6540313 | 10.1021/jm00374a005 | Homo sapiens | 25 |
| 29627723 | 10.1016/j.ejmech.2018.03.080 | Salmonella typhimurium | 20 |
| 6540313 | 10.1021/jm00374a005 | ADMET | 9 |
| 6540313 | 10.1021/jm00374a005 | Nucleic Acid | 4 |
| 29627723 | 10.1016/j.ejmech.2018.03.080 | Salmon testes DNA | 2 |
| 6540313 | 10.1021/jm00374a005 | Mus musculus | 1 |
| 21864947 | 10.1016/j.ejmech.2011.07.032 | Unchecked | 1 |
| 29627723 | 10.1016/j.ejmech.2018.03.080 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine