Compound Detail
CHEMBL4076045
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Basic Information
| ChEMBL ID | CHEMBL4076045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGLZSAAPKFDNQS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.30
ALogP
3
HBA
1
HBD
49.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.55 | 5.55 | 2840.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.32 | 4.32 | 47420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1200.0 | nM | 5.92 | Antitrypanosomal activity against Trypanosoma brucei brucei BF427 after 48 hrs b... | 28740614 |
| Trypanosoma cruzi | EC50 | = | 2840.0 | nM | 5.55 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 28740614 |
| Unchecked | EC50 | = | 47420.0 | nM | 4.32 | Cytotoxicity against human CRL8155 cells after 48 hrs by Alamar Blue-based assay | 28740614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Trypanosoma cruzi | 2 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Trypanosoma brucei brucei | 2 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Unchecked | 1 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine