Compound Detail
CHEMBL567184
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Basic Information
| ChEMBL ID | CHEMBL567184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLTTWOPJBJOCSJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
2.62
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Salmonella typhimurium CHEMBL351 | IC50 | 6.36 | 6.225 | 440.0 | 2 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Salmonella typhimurium | IC50 | = | 440.0 | nM | 6.36 | Suppression in H2O2-iduced mutagenesity in Salmonella Typhimurium TA100 assessed... | 20189692 |
| Salmonella typhimurium | IC50 | = | 810.0 | nM | 6.09 | Suppression in mutagenesity in Salmonella Typhimurium TA100 assessed as 100 to 5... | 20189692 |
| RPMI-8226 | IC50 | = | 14800.0 | nM | 4.83 | Cytotoxicity against human RPMI8226 cells after 72 hrs by MTT assay | 20189692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189692 | 10.1016/j.ejmech.2010.02.009 | Salmonella typhimurium | 3 |
| 20189692 | 10.1016/j.ejmech.2010.02.009 | ADMET | 2 |
| 19883955 | 10.1016/j.ejmech.2009.10.006 | RPMI-8226 | 1 |
| 19883955 | 10.1016/j.ejmech.2009.10.006 | MCF7 | 1 |
| 19883955 | 10.1016/j.ejmech.2009.10.006 | ADMET | 1 |
| 20189692 | 10.1016/j.ejmech.2010.02.009 | RPMI-8226 | 1 |
| 20189692 | 10.1016/j.ejmech.2010.02.009 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine