Compound Detail
CHEMBL2386131
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Basic Information
| ChEMBL ID | CHEMBL2386131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVOLDJVWBQZJJH-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
2.51
ALogP
7
HBA
1
HBD
112.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.32 | 4.32 | 48400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.22 | 4.22 | 60200.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.07 | 4.07 | 85100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 48400.0 | nM | 4.32 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes in... | 24900706 |
| Plasmodium falciparum | IC50 | = | 60200.0 | nM | 4.22 | Antiplasmodial activity against erythrocytic stage of Plasmodium falciparum K1 a... | 24900706 |
| Leishmania donovani | IC50 | = | 85100.0 | nM | 4.07 | Antitrypanosomal activity against Leishmania donovani MHOM-ET-67/L82 amastigotes... | 24900706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900706 | 10.1021/ml400039r | Sterol 14-alpha demethylase | 1 |
| 24900706 | 10.1021/ml400039r | Unchecked | 1 |
| 24900706 | 10.1021/ml400039r | L6 | 1 |
| 24900706 | 10.1021/ml400039r | Plasmodium falciparum | 1 |
| 24900706 | 10.1021/ml400039r | Leishmania donovani | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma cruzi | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine