Compound Detail
CHEMBL3250581
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Basic Information
| ChEMBL ID | CHEMBL3250581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLOSNGRCMSYSPL-GZTJUZNOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
2.79
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.9 | 5.72 | 1270.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.38 | 4.38 | 41430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1270.0 | nM | 5.9 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 37062170 |
| Trypanosoma cruzi | IC50 | = | 2880.0 | nM | 5.54 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 37062170 |
| Leishmania amazonensis | IC50 | = | 41430.0 | nM | 4.38 | 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 |
| 376848 | 10.1021/jm00193a020 | Plasmodium berghei | 1 |
| 37062170 | 10.1016/j.ejmech.2023.115310 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine