Compound Detail
CHEMBL4852746
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Basic Information
| ChEMBL ID | CHEMBL4852746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VROKINKUZKDMMX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.1
MW (Da)
2.91
ALogP
5
HBA
0
HBD
60.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.76 | 4.76 | 17300.0 | 1 |
| Leishmania tropica CHEMBL612881 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.28 | 4.235 | 52700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 17300.0 | nM | 4.76 | Antileishmanial activity against Leishmania infantum (MHOM/TN/80/IPTI) promastig... | 34795860 |
| Leishmania tropica | IC50 | = | 43000.0 | nM | 4.37 | Antileishmanial activity against Leishmania tropica (MHOM/SY/2012/ISS3130) proma... | 34795860 |
| Plasmodium falciparum | IC50 | = | 52700.0 | nM | 4.28 | Antimalarial activity against chloroquine sensitive Plasmodium falciparum D10 in... | 34795860 |
| Plasmodium falciparum | IC50 | = | 64800.0 | nM | 4.19 | Antimalarial activity against chloroquine resistant Plasmodium falciparum W2 inf... | 34795860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Plasmodium falciparum | 2 |
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Leishmania infantum | 1 |
| 34795860 | 10.1021/acsmedchemlett.1c00354 | Leishmania tropica | 1 |
Data from ChEMBL 36 via Core Engine