Compound Detail
CHEMBL4551736
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Basic Information
| ChEMBL ID | CHEMBL4551736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPLQMMPXMMHXOX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.48
ALogP
5
HBA
0
HBD
69.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.57 | 4.57 | 26800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.43 | 37153.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 26800.0 | nM | 4.57 | Anti-trypanosomal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 epimastig... | 30641409 |
| Unchecked | IC50 | = | 37153.52 | nM | 4.43 | Inhibition of Trypanosoma cruzi apoenzyme form of PFK | 30641409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Unchecked | 3 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Trypanosoma cruzi | 2 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Vero | 1 |
Data from ChEMBL 36 via Core Engine