Compound Detail
CHEMBL589703
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Basic Information
| ChEMBL ID | CHEMBL589703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKOVUBDUNUHXSO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.97
ALogP
4
HBA
1
HBD
31.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.56 | 6.28 | 275.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.97 | 4.97 | 10786.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16489.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 275.0 | nM | 6.56 | Antimalarial activity against Plasmodium falciparum K1 infected in human RBC aft... | 24900603 |
| Plasmodium falciparum | IC50 | = | 994.0 | nM | 6.0 | Antimalarial activity against Plasmodium falciparum NF54 infected in human eryth... | 27312008 |
| L6 | IC50 | = | 10786.0 | nM | 4.97 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 27312008 |
| Unchecked | IC50 | = | 16489.0 | nM | 4.78 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 24900603 | 10.1021/ml400015f | Plasmodium falciparum | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | HSP90 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | L6 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine