Compound Detail
CHEMBL3920674
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Basic Information
| ChEMBL ID | CHEMBL3920674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYGMQGKMDCABQZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.8
MW (Da)
5.73
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.45
IC50 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.91 | 6.91 | 124.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.45 | 5.14 | 359.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 124.0 | nM | 6.91 | Inhibition of Trypanosoma brucei methionyl tRNA synthetase preincubated for 15 m... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 359.0 | nM | 6.45 | Antitrypanosomal activity against Trypanosoma brucei 427 bloodstream forms asses... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 32300.0 | nM | 4.49 | Cytotoxicity against human HepG2 cells assessed as cell viability after 48 hrs b... | 27788467 |
| NON-PROTEIN TARGET | EC50 | = | 33100.0 | nM | 4.48 | 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