Compound Detail
CHEMBL2386135
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Basic Information
| ChEMBL ID | CHEMBL2386135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYYLZOUXUDQNJZ-HSZRJFAPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
5.15
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
EC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| L6 CHEMBL614793 | IC50 | 4.74 | 4.74 | 18240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 1.2 | nM | 8.92 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes exp... | 25033013 |
| Trypanosoma cruzi | IC50 | = | 3.8 | nM | 8.42 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes in... | 24900706 |
| L6 | IC50 | = | 18240.0 | nM | 4.74 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay | 24900706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900706 | 10.1021/ml400039r | Trypanosoma cruzi | 2 |
| 25033013 | 10.1021/jm500739f | Sterol 14-alpha demethylase | 2 |
| 25033013 | 10.1021/jm500739f | Trypanosoma cruzi | 2 |
| 24900706 | 10.1021/ml400039r | ADMET | 1 |
| 24900706 | 10.1021/ml400039r | Unchecked | 1 |
| 24900706 | 10.1021/ml400039r | L6 | 1 |
Data from ChEMBL 36 via Core Engine