Compound Detail
CHEMBL2113945
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Basic Information
| ChEMBL ID | CHEMBL2113945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZFIAJJLMRMIBB-HAHDFKILSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
5.43
ALogP
4
HBA
0
HBD
54.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 6.9667 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | IC50 | = | 156.0 | nM | 6.81 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum | IC50 | = | 326.0 | nM | 6.49 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine