Compound Detail
CHEMBL4955825
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Basic Information
| ChEMBL ID | CHEMBL4955825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVZQNLICCYOSGO-HNNXBMFYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.83
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.42 | 6.29 | 380.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 380.0 | nM | 6.42 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 407.0 | nM | 6.39 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 461.0 | nM | 6.34 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 550.0 | nM | 6.26 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 912.0 | nM | 6.04 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 9 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine