Compound Detail
CHEMBL3182577
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 | CHEMBL3182577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCFFGQZFWUERFK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.8
MW (Da)
4.53
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.38
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.38 | 5.38 | 4168.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 1510.0 | nM | 5.82 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Trypanosoma cruzi | EC50 | = | 4200.0 | nM | 5.38 | Antimicrobial activity against Trypanosoma cruzi Y infected in human U2OS cells ... | 30562700 |
| Trypanosoma cruzi | EC50 | = | 4168.69 | nM | 5.38 | Antimicrobial activity against Trypanosoma cruzi Y infected in human U2OS cells ... | 30562700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30562700 | 10.1016/j.ejmech.2018.11.062 | Trypanosoma cruzi | 2 |
| 30562700 | 10.1016/j.ejmech.2018.11.062 | U2OS | 1 |
| 30562700 | 10.1016/j.ejmech.2018.11.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine