Compound Detail
CHEMBL1433324
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 | CHEMBL1433324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAZWNNACOSEBDJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.9
MW (Da)
4.21
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.64 | 6.64 | 231.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.15 | 4.15 | 70300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 231.0 | nM | 6.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... | - |
| Trypanosoma cruzi | IC50 | = | 570.0 | nM | 6.24 | Antitrypanosomal activity against trypomastigote form of Trypanosoma cruzi Tulah... | 22018462 |
| NIH3T3 | IC50 | = | 70300.0 | nM | 4.15 | Cytotoxicity against mouse NIH/3T3 cells | 22018462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22018462 | 10.1016/j.bmcl.2011.09.057 | No relevant target | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | ADMET | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | NIH3T3 | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine