Compound Detail
CHEMBL4105162
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Basic Information
| ChEMBL ID | CHEMBL4105162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYNYLQZVFTVBBU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
3.22
ALogP
7
HBA
0
HBD
92.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.75 | 7.4833 | 18.0 | 3 |
| Leishmania infantum CHEMBL612848 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 18.0 | nM | 7.75 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 33007723 |
| Trypanosoma cruzi | IC50 | = | 27.0 | nM | 7.57 | Antileishmanial activity against Trypanosoma cruzi infected in human MRC-5 cells... | 28459575 |
| Trypanosoma cruzi | IC50 | = | 74.0 | nM | 7.13 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 33007723 |
| Leishmania infantum | IC50 | = | 83.0 | nM | 7.08 | Antileishmanial activity against Leishmania infantum infected in primary periton... | 28459575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007723 | 10.1016/j.ejmech.2020.112849 | Trypanosoma cruzi | 5 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | Unchecked | 4 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Mycobacterium tuberculosis | 2 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Leishmania infantum | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Leishmania donovani | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | Trypanosoma cruzi | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | MRC5 | 1 |
| 28459575 | 10.1021/acs.jmedchem.7b00034 | No relevant target | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | L6 | 1 |
Data from ChEMBL 36 via Core Engine