Compound Detail
CHEMBL1733474
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Basic Information
| ChEMBL ID | CHEMBL1733474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSGRDPNYGMQUTB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
3.49
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
EC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.33 | 7.33 | 46.6 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 46.6 | nM | 7.33 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Plasmodium falciparum | IC50 | = | 3900.0 | nM | 5.41 | Antimalarial activity against Plasmodium falciparum 3D7 incubated for 48 hrs fol... | 35239352 |
| Unchecked | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of Plasmodium falciparum recombinant GluPho measured for 20 to 30 min... | 35239352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Unchecked | 1 |
| 35239352 | 10.1021/acs.jmedchem.1c01577 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine