Compound Detail
CHEMBL5405577
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Basic Information
| ChEMBL ID | CHEMBL5405577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMHKDJIPEDPDIF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
4.48
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 19952.62 | nM | 4.7 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes ass... | 36626662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36626662 | 10.1021/acs.jmedchem.2c01725 | H9c2 | 1 |
| 36626662 | 10.1021/acs.jmedchem.2c01725 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine