Compound Detail
CHEMBL501755
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Basic Information
| ChEMBL ID | CHEMBL501755 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEMQLGFQFNBABO-HNNXBMFYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
4.34
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.16 | 4.58 | 6900.0 | 2 |
| Leishmania major CHEMBL612879 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 6900.0 | nM | 5.16 | Antileishmanial activity against Leishmania donovani LV9 promastigotes after 96 ... | 12502308 |
| Leishmania major | IC50 | = | 7900.0 | nM | 5.1 | Antileishmanial activity against Leishmania major LV39 promastigotes after 96 hr... | 12502308 |
| Leishmania infantum | IC50 | = | 9200.0 | nM | 5.04 | Antileishmanial activity against Leishmania infantum D.SCH promastigotes after 9... | 12502308 |
| Plasmodium falciparum | IC50 | = | 10300.0 | nM | 4.99 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 12502308 |
| Leishmania donovani | IC50 | = | 99000.0 | nM | 4.0 | Antileishmanial activity against Leishmania donovani LV9 amastigotes infected in... | 12502308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502308 | 10.1021/np020244s | Leishmania donovani | 2 |
| 12502308 | 10.1021/np020244s | Leishmania infantum | 2 |
| 12502308 | 10.1021/np020244s | Leishmania major | 1 |
| 12502308 | 10.1021/np020244s | Plasmodium falciparum | 1 |
| 12502308 | 10.1021/np020244s | RAW264.7 | 1 |
| 12502308 | 10.1021/np020244s | ADMET | 1 |
Data from ChEMBL 36 via Core Engine