Compound Detail
CHEMBL468845
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Basic Information
| ChEMBL ID | CHEMBL468845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCZVTSRMGIGYOG-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
426.1
MW (Da)
6.67
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.66 | 7.21 | 21.9 | 3 |
| Leishmania tropica CHEMBL612881 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21.92 | nM | 7.66 | Antimalarial activity against chloroquine,mefloquine-sensitive Plasmodium falcip... | 18637666 |
| Plasmodium falciparum | IC50 | = | 67.23 | nM | 7.17 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18637666 |
| Plasmodium falciparum | IC50 | = | 159.71 | nM | 6.8 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 18637666 |
| Leishmania tropica | IC50 | = | 660.0 | nM | 6.18 | Antileishmanial activity against Leishmania tropica MHOM/IT/2012/ISS3130 promast... | 30034591 |
| Leishmania infantum | IC50 | = | 730.0 | nM | 6.14 | Antileishmanial activity against Leishmania infantum MHOM/TN/80/IPT1 promastigot... | 30034591 |
| THP-1 | IC50 | = | 1810.0 | nM | 5.74 | Cytotoxicity against PMA-differentiated human THP1 cells after 72 hrs by MTT ass... | 30034591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18637666 | 10.1021/jm800737y | Plasmodium falciparum | 6 |
| 18637666 | 10.1021/jm800737y | Unchecked | 2 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Unchecked | 2 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania tropica | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | Leishmania infantum | 1 |
| 30034591 | 10.1021/acsmedchemlett.8b00053 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine