Compound Detail
CHEMBL98114
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Basic Information
| ChEMBL ID | CHEMBL98114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFSUTRPECZEFJM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
249.8
MW (Da)
2.86
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.09 | 7.09 | 80.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 80.9 | nM | 7.09 | In vitro antiplasmodial activity against Plasmodium falciparum D10 | 10649984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945197 | 10.1016/j.ejmech.2009.11.017 | MDA-MB-468 | 5 |
| 19945197 | 10.1016/j.ejmech.2009.11.017 | MDA-MB-231 | 5 |
| 19945197 | 10.1016/j.ejmech.2009.11.017 | MCF7 | 5 |
| 19945197 | 10.1016/j.ejmech.2009.11.017 | NON-PROTEIN TARGET | 5 |
| 17064070 | 10.1021/jm060736s | HepG2 | 2 |
| 20797807 | 10.1016/j.ejmech.2010.07.054 | Major prion protein | 2 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 17064070 | 10.1021/jm060736s | Nucleic Acid | 1 |
| 38039505 | 10.1021/acs.jmedchem.3c00877 | Fermitin family homolog 1 | 1 |
| 38039505 | 10.1021/acs.jmedchem.3c00877 | Fermitin family homolog 2 | 1 |
Data from ChEMBL 36 via Core Engine