Compound Detail
CHEMBL3940296
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Basic Information
| ChEMBL ID | CHEMBL3940296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIYXAQMTJOFMTG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.7
MW (Da)
4.12
ALogP
4
HBA
3
HBD
65.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.27
IC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.27 | 5.3733 | 539.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85.0 | nM | 7.07 | Inhibition of Trypanosoma brucei methionyl tRNA synthetase preincubated for 15 m... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 539.0 | nM | 6.27 | Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms asses... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human HepG2 cells assessed as cell viability after 48 hrs b... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 14000.0 | nM | 4.85 | Cytotoxicity against human CRL-1855 cells assessed as cell viability after 48 hr... | 27788467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27788467 | 10.1016/j.ejmech.2016.10.024 | NON-PROTEIN TARGET | 3 |
| 27788467 | 10.1016/j.ejmech.2016.10.024 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine