Compound Detail
CHEMBL1437772
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 | CHEMBL1437772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNVNQWUERFZASD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.84
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.94
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | EC50 | 5.94 | 5.94 | 1154.0 | 1 |
| NADPH oxidase 1 CHEMBL1287628 | IC50 | 5.34 | 5.34 | 4570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | EC50 | = | 1154.0 | nM | 5.94 | Inhibition of erastin-induced ferroptosis in human HT-1080 cells assessed as cel... | 33065375 |
| NADPH oxidase 1 | IC50 | = | 4570.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence-based cell-based dose response assay to identify ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Molecular identity unknown | 3 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Candida albicans | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Candida parapsilosis | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Nakaseomyces glabratus | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Pichia kudriavzevii | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Meyerozyma guilliermondii | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Cryptococcus neoformans | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | NON-PROTEIN TARGET | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Aspergillus flavus | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Aspergillus niger | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Aspergillus nidulans | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Aspergillus terreus | 1 |
| 21093111 | 10.1016/j.ejmech.2010.10.019 | Exophiala spinifera | 1 |
| 33065375 | 10.1016/j.ejmech.2020.112842 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine