Compound Detail
CHEMBL2022340
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Basic Information
| ChEMBL ID | CHEMBL2022340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLUXPBMRWJKQQN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
0.69
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.24 | 4.825 | 5800.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.67 | 4.645 | 21320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 5800.0 | nM | 5.24 | Antileishmanial activity against antimony-resistant Leishmania infantum MCAN/BR/... | 23535320 |
| Trypanosoma cruzi | IC50 | = | 17700.0 | nM | 4.75 | Trypanocidal activity against bloodstream form of Trypanosoma cruzi Y isolated f... | 22483633 |
| Leishmania amazonensis | IC50 | = | 21320.0 | nM | 4.67 | Antileishmanial activity against antimony-resistant Leishmania amazonensis MHOM/... | 23535320 |
| Leishmania amazonensis | IC50 | = | 23870.0 | nM | 4.62 | Antileishmanial activity against antimony-sensitive Leishmania amazonensis MHOM/... | 23535320 |
| Leishmania infantum | IC50 | = | 39050.0 | nM | 4.41 | Antileishmanial activity against antimony-sensitive Leishmania infantum MCAN/BR/... | 23535320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23535320 | 10.1016/j.ejmech.2013.02.038 | Unchecked | 4 |
| 23535320 | 10.1016/j.ejmech.2013.02.038 | Leishmania amazonensis | 3 |
| 23535320 | 10.1016/j.ejmech.2013.02.038 | Leishmania infantum | 3 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | Trypanosoma cruzi | 2 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | ADMET | 1 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | Unchecked | 1 |
| 23535320 | 10.1016/j.ejmech.2013.02.038 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine