Compound Detail
CHEMBL148021
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Basic Information
| ChEMBL ID | CHEMBL148021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNLNIRYGAMASQD-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.40
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.48
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.82 | 7.785 | 15.0 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.48 | 7.345 | 33.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 15.0 | nM | 7.82 | In vitro antiplasmodial activity against chloroquine-sensitive Plasmodium falcip... | 9836608 |
| Plasmodium falciparum | IC50 | = | 18.0 | nM | 7.75 | In vitro antiplasmodial activity against chloroquine-resistant Plasmodium falcip... | 9836608 |
| Plasmodium falciparum | EC50 | = | 33.0 | nM | 7.48 | Effective concentration for Plasmodium falciparum 3D7 | 15686903 |
| Plasmodium falciparum | EC50 | = | 62.0 | nM | 7.21 | Effective concentration for Plasmodium falciparum W2 | 15686903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836608 | 10.1021/jm980146x | Plasmodium falciparum | 2 |
| 15686903 | 10.1016/j.bmcl.2004.12.037 | Plasmodium falciparum | 2 |
| 20561720 | 10.1016/j.ejmech.2010.05.046 | MDA-MB-231 | 1 |
| 20561720 | 10.1016/j.ejmech.2010.05.046 | MCF7 | 1 |
| 20561720 | 10.1016/j.ejmech.2010.05.046 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine