Compound Detail
CHEMBL4436060
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Basic Information
| ChEMBL ID | CHEMBL4436060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICSYNCVSXUEZDG-DNRKLUKYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
-0.77
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.64 | 5.64 | 2270.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.75 | 4.75 | 17900.0 | 1 |
| Leishmania infantum CHEMBL612848 | EC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 2270.0 | nM | 5.64 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... | 31495177 |
| Trypanosoma cruzi | EC50 | = | 2270.0 | nM | 5.64 | Antitrypanosomal activity against intracellular Trypanosoma cruzi Tulahuen amast... | 35144125 |
| Unchecked | EC50 | = | 17900.0 | nM | 4.75 | Cytotoxicity against human MRC5 SV2 cells assessed as reduction in cell viabilit... | 31495177 |
| Leishmania infantum | EC50 | = | 38900.0 | nM | 4.41 | Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/6... | 35144125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Unchecked | 2 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | ADMET | 2 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Trypanosoma cruzi | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | MRC5 | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Trypanosoma cruzi | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Leishmania infantum | 1 |
| 35144125 | 10.1016/j.ejmech.2022.114165 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine