Compound Detail
CHEMBL316953
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Basic Information
| ChEMBL ID | CHEMBL316953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFWKJZJCYMNIRF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
1.61
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.18 | 6.255 | 66.0 | 2 |
| Fermitin family homolog 2 CHEMBL5465266 | IC50 | 3.35 | 3.35 | 448000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 66.0 | nM | 7.18 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 b... | 23669191 |
| Plasmodium falciparum | IC50 | = | 4700.0 | nM | 5.33 | In vitro antiplasmodial activity against Plasmodium falciparum D10 | 10649984 |
| Fermitin family homolog 2 | IC50 | = | 448000.0 | nM | 3.35 | Inhibition of His6-tagged KIND2 (unknown origin) expressed in Escherichia coli B... | 38039505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38039505 | 10.1021/acs.jmedchem.3c00877 | Fermitin family homolog 2 | 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 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Plasmodium falciparum | 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