Compound Detail
CHEMBL99921
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Basic Information
| ChEMBL ID | CHEMBL99921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWTWMUXPAIGYME-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
192.7
MW (Da)
2.93
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4000.0 | nM | 5.4 | In vitro antiplasmodial activity against Plasmodium falciparum D10 | 10649984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20797807 | 10.1016/j.ejmech.2010.07.054 | Major prion protein | 3 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 19188070 | 10.1016/j.bmc.2009.01.013 | Mycobacterium tuberculosis | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Unchecked | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Ferriprotoporphyrin IX | 1 |
Data from ChEMBL 36 via Core Engine