Compound Detail
CHEMBL33298
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Basic Information
| ChEMBL ID | CHEMBL33298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANPMSQPDCXKUJG-PKNBQFBNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.61
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.77 | 5.77 | 1710.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.8 | 15800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1710.0 | nM | 5.77 | Inhibition of the production of Interleukin-1-beta from human peripheral blood m... | 8496911 |
| Plasmodium falciparum | IC50 | = | 15800.0 | nM | 4.8 | Growth inhibition of chloroquine-resistant Plasmodium falciparum K1 by [3H]hypox... | 12161120 |
| Plasmodium falciparum | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21539383 | 10.1021/jm2002348 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 12161120 | 10.1016/s0960-894x(02)00430-4 | Plasmodium falciparum | 1 |
| 8496911 | 10.1021/jm00062a016 | Homo sapiens | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 22310230 | 10.1016/j.bmcl.2011.12.141 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine