Compound Detail
CHEMBL2058840
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Basic Information
| ChEMBL ID | CHEMBL2058840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNAUNZIJZGIRHN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.84
ALogP
4
HBA
2
HBD
41.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.79 | 6.77 | 161.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 161.0 | nM | 6.79 | Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR gre... | 22524250 |
| Plasmodium falciparum | EC50 | = | 178.0 | nM | 6.75 | Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gree... | 22524250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524250 | 10.1021/jm300041e | Caco-2 | 2 |
| 22524250 | 10.1021/jm300041e | Liver microsomes | 2 |
| 22524250 | 10.1021/jm300041e | Liver | 2 |
| 22524250 | 10.1021/jm300041e | Plasmodium falciparum | 2 |
| 22524250 | 10.1021/jm300041e | ADMET | 1 |
| 22524250 | 10.1021/jm300041e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine