Compound Detail
CHEMBL3335095
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Basic Information
| ChEMBL ID | CHEMBL3335095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGFDIHNOJVKCCS-OEAKJJBVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.96
ALogP
3
HBA
2
HBD
71.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.21 | 6.965 | 62.0 | 2 |
| L6 CHEMBL614793 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 62.0 | nM | 7.21 | Antiplasmodial activity against Plasmodium falciparum Dd2 asexual blood stages a... | 25195945 |
| Plasmodium falciparum | IC50 | = | 190.0 | nM | 6.72 | Antiplasmodial activity against Plasmodium falciparum 3D7 asexual blood stages a... | 25195945 |
| L6 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 25195945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25195945 | 10.1021/jm500811p | Plasmodium falciparum | 3 |
| 25195945 | 10.1021/jm500811p | L6 | 1 |
| 25195945 | 10.1021/jm500811p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine