Compound Detail
CHEMBL568308
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Basic Information
| ChEMBL ID | CHEMBL568308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBKNSDVSHKOZDD-OVCLIPMQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
1.97
ALogP
3
HBA
3
HBD
56.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 6.3 | 6.3 | 500.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human SK-N-MC cells | 19601577 |
| SK-N-MC | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 19601577 |
| Plasmodium falciparum | IC50 | = | 10300.0 | nM | 4.99 | Anti-parasitic activity against Plasmodium falciparum 3D7 infected in human eryt... | 30453246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19601577 | 10.1021/jm900552r | SK-N-MC | 2 |
| 19601577 | 10.1021/jm900552r | MRC5 | 1 |
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine