Compound Detail
CHEMBL80155
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Basic Information
| ChEMBL ID | CHEMBL80155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWZFIFZYMHNRRV-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.54
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.22
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 4.925 | 10000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 2200.0 | nM | 5.66 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
| Epidermal growth factor receptor | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration of EGF dependent autophosphorylation of epidermal growt... | 2552117 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 4 |
| 2552117 | 10.1021/jm00130a020 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine