Compound Detail
CHEMBL3335099
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Basic Information
| ChEMBL ID | CHEMBL3335099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBNMYWFGJDDVDX-YDZHTSKRSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.79
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 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.22 | 6.6767 | 60.0 | 3 |
| L6 CHEMBL614793 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 60.0 | nM | 7.22 | Antiplasmodial activity against Plasmodium falciparum 3D7 asexual blood stages a... | 25195945 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | Antiplasmodial activity against Plasmodium falciparum Dd2 asexual blood stages a... | 25195945 |
| Plasmodium falciparum | IC50 | = | 780.0 | nM | 6.11 | Gametocytocidal activity against transgenic Plasmodium falciparum NF54-pfs16-GFP... | 25195945 |
| L6 | IC50 | = | 19000.0 | nM | 4.72 | 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 | Plasma | 3 |
| 25195945 | 10.1021/jm500811p | Plasmodium berghei | 2 |
| 25195945 | 10.1021/jm500811p | L6 | 1 |
| 25195945 | 10.1021/jm500811p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine