Compound Detail
CHEMBL2448750
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Basic Information
| ChEMBL ID | CHEMBL2448750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPGJKLBKGYIEDM-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.91
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 9.59 | 8.1629 | 0.3 | 7 |
| L6 CHEMBL614793 | IC50 | 4.16 | 4.16 | 69890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 0.26 | nM | 9.59 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 0.31 | nM | 9.51 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 5.6 | nM | 8.25 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 28.0 | nM | 7.55 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 34.0 | nM | 7.47 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 38.0 | nM | 7.42 | DNDI: Chagas in Vitro | - |
| Trypanosoma cruzi | IC50 | = | 45.0 | nM | 7.35 | DNDI: Chagas in Vitro | - |
| L6 | IC50 | = | 69890.0 | nM | 4.16 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2448688 | Trypanosoma cruzi | 15 |
| - | 10.6019/CHEMBL2448688 | L6 | 1 |
Data from ChEMBL 36 via Core Engine