Compound Detail
CHEMBL3104530
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3104530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STOFRCWXZOHKCT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
5.54
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.13 | 8.115 | 7.5 | 2 |
| L6 CHEMBL614793 | IC50 | 4.24 | 4.24 | 57890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 7.457 | nM | 8.13 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 8.0 | nM | 8.1 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 6 amastigotes infec... | 24304150 |
| L6 | IC50 | = | 58000.0 | nM | 4.24 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 24304150 |
| L6 | IC50 | = | 57890.0 | nM | 4.24 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal musclE | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3137440 | Trypanosoma cruzi | 2 |
| 24304150 | 10.1021/jm401610c | L6 | 1 |
| 24304150 | 10.1021/jm401610c | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3137440 | L6 | 1 |
Data from ChEMBL 36 via Core Engine