Compound Detail
CHEMBL116919
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Basic Information
| ChEMBL ID | CHEMBL116919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCZPCSYKZMFAHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 4.97 | 4.97 | 10650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Evaluation of inhibitory activity against phospholipase C-gamma1 phosphorylation... | 7658435 |
| COUP transcription factor 2 | IC50 | = | 10650.0 | nM | 4.97 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine