Compound Detail
CHEMBL4867373
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Basic Information
| ChEMBL ID | CHEMBL4867373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUUNTEJEBVOOJK-ZRFIDHNTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
-0.95
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.53 | 4.53 | 29500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 24100.0 | nM | 4.62 | Antileishmanial activity against amastigote form of Leishmania infantum MHOM/MA(... | 33784107 |
| Trypanosoma cruzi | IC50 | = | 29500.0 | nM | 4.53 | Antitrypanosomal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahue... | 33784107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784107 | 10.1021/acs.jmedchem.1c00135 | ADMET | 2 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Trypanosoma cruzi | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Unchecked | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Leishmania infantum | 1 |
| 33784107 | 10.1021/acs.jmedchem.1c00135 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine