Compound Detail
CHEMBL2435705
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Basic Information
| ChEMBL ID | CHEMBL2435705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSMLJZUTFSMMI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.71
ALogP
7
HBA
2
HBD
89.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.73 | 4.73 | 18590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 1300.0 | nM | 5.89 | Antiplasmodial activity against liver stage Plasmodium berghei infected in Huh7 ... | 26968650 |
| Plasmodium falciparum | IC50 | = | 18590.0 | nM | 4.73 | Antiplasmodial activity against ring stage of chloroquine-resistant Plasmodium f... | 24077527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Unchecked | 2 |
| 26968650 | 10.1016/j.bmc.2016.03.005 | Plasmodium berghei | 2 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | HEK-293T | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | NIH3T3 | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Plasmodium falciparum | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Papain | 1 |
| 26968650 | 10.1016/j.bmc.2016.03.005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine