Compound Detail
CHEMBL576595
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Basic Information
| ChEMBL ID | CHEMBL576595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNIRWDYKNSNOGU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.2
MW (Da)
3.42
ALogP
4
HBA
0
HBD
61.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.7 | 7.4367 | 20.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.0 | nM | 7.7 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum FcB1 a... | 20014857 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against drug-sensitive Plasmodium falciparum 3D7 assessed ... | 20014857 |
| Plasmodium falciparum | IC50 | = | 81.0 | nM | 7.09 | Antimalarial activity against Plasmodium falciparum K1 assessed as [3H]hypoxanth... | 20014857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014857 | 10.1021/jm901300d | Plasmodium falciparum | 5 |
| 20014857 | 10.1021/jm901300d | Unchecked | 2 |
| 20014857 | 10.1021/jm901300d | MCF7 | 1 |
| 20014857 | 10.1021/jm901300d | KB | 1 |
Data from ChEMBL 36 via Core Engine