Compound Detail
CHEMBL4559191
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Basic Information
| ChEMBL ID | CHEMBL4559191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJOVZBZACIVDOX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4595657 |
| Active Moiety | CHEMBL4595657 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.54
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.79 | 7.912 | 1.6 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.63 | nM | 8.79 | Antimalarial activity against asexual stage of Plasmodium falciparum NF54 assess... | 31938463 |
| Plasmodium falciparum | IC50 | = | 1.62 | nM | 8.79 | Antimalarial activity against asexual stage of Plasmodium falciparum W2 assessed... | 31938463 |
| Plasmodium falciparum | IC50 | = | 3.1 | nM | 8.51 | Antimalarial activity against asexual stage of Plasmodium falciparum K1 assessed... | 31938463 |
| Plasmodium falciparum | IC50 | = | 33.0 | nM | 7.48 | Antimalarial activity against Plasmodium falciparum NF54 early gametocytes trans... | 31938463 |
| Plasmodium falciparum | IC50 | = | 1019.0 | nM | 5.99 | Antimalarial activity against Plasmodium falciparum NF54 late gametocytes transf... | 31938463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938463 | 10.1021/acsmedchemlett.9b00457 | Plasmodium falciparum | 5 |
| 34706190 | 10.1021/acs.jmedchem.1c01383 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine