Compound Detail
CHEMBL539512
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Basic Information
| ChEMBL ID | CHEMBL539512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVTRDODAVVGXFO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL9126 |
| Active Moiety | CHEMBL9126 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.58
ALogP
4
HBA
4
HBD
106.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.52 | 7.58 | 3.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.0 | nM | 8.52 | In vitro antiparasitic activity against chloroquine-sensitive Plasmodium falcipa... | 15115412 |
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | In vitro antiparasitic activity against chloroquine-resistant Plasmodium falcipa... | 15115412 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory concentration against chloroquine-sensitive Plasmodium falci... | 15026037 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibitory concentration against chloroquine-resistant Plasmodium falci... | 15026037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22301215 | 10.1016/j.ejmech.2011.12.035 | Mycobacterium tuberculosis | 3 |
| 15026037 | 10.1016/j.bmcl.2004.01.070 | Plasmodium falciparum | 2 |
| 15115412 | 10.1021/jm030545e | Plasmodium falciparum | 2 |
| 15026037 | 10.1016/j.bmcl.2004.01.070 | Histidine-rich protein PFHRP-II | 1 |
| 15115412 | 10.1021/jm030545e | A549 | 1 |
| 15115412 | 10.1021/jm030545e | Calf thymus DNA | 1 |
| 15115412 | 10.1021/jm030545e | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine