Compound Detail
CHEMBL5438957
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Basic Information
| ChEMBL ID | CHEMBL5438957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTGFLEHQAVVRMJ-PQPQYNOBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
3.97
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.05 | 5.935 | 890.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.24 | 4.945 | 5700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 890.0 | nM | 6.05 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 37062170 |
| Trypanosoma cruzi | IC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 37062170 |
| Leishmania amazonensis | IC50 | = | 5700.0 | nM | 5.24 | Antileishmanial activity against Leishmania amazonensis WHOM/00 LTB 0016 amastig... | 37062170 |
| Leishmania amazonensis | IC50 | = | 22400.0 | nM | 4.65 | Antileishmanial activity against Leishmania amazonensis WHOM/00 LTB 0016 promast... | 37062170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37062170 | 10.1016/j.ejmech.2023.115310 | ADMET | 4 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | Trypanosoma cruzi | 2 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | Leishmania amazonensis | 2 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine