Compound Detail
CHEMBL2113926
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Basic Information
| ChEMBL ID | CHEMBL2113926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFLINPFRLHPFGO-HMAPJEAMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
5.26
ALogP
4
HBA
0
HBD
54.7
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.55 | 7.4033 | 28.0 | 3 |
| Plasmodium falciparum K1 CHEMBL612856 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 28.0 | nM | 7.55 | OSM: Late stage gametocytes. IC50 values determined from 21 point dose response ... | - |
| Plasmodium falciparum | IC50 | = | 47.0 | nM | 7.33 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
| Plasmodium falciparum | IC50 | = | 47.0 | nM | 7.33 | OSM: Inhibition of Plasmodium falciparum 3D7 growth using a SYBR green I fluores... | - |
| Plasmodium falciparum K1 | IC50 | = | 66.0 | nM | 7.18 | OSM: Inhibition of Plasmodium falciparum K1 growth. IC50 values determined from ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL2113921 | ADMET | 3 |
| - | 10.6019/CHEMBL2113921 | HEK293 | 1 |
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum K1 | 1 |
Data from ChEMBL 36 via Core Engine