Compound Detail
CHEMBL1533248
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Basic Information
| ChEMBL ID | CHEMBL1533248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXCMNKSDLJDFTB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
353.9
MW (Da)
5.16
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.69
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
EC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.05 | 5.05 | 8830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15547.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.57 | 4.57 | 27200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hexokinase HKDC1 | IC50 | = | 8830.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Unchecked | IC50 | = | 15547.0 | nM | 4.81 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
| Protein RecA | EC50 | = | 27200.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine