Compound Detail
CHEMBL141159
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Basic Information
| ChEMBL ID | CHEMBL141159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJGTQPGBBWIIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.2
MW (Da)
0.16
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of Trypanosoma cruzi glucokinase using D-glucose as substrate in pres... | 31133533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31133533 | 10.1016/j.bmcl.2019.05.037 | Unchecked | 3 |
| 11741479 | 10.1021/jm0103256 | Unchecked | 1 |
| 31133533 | 10.1016/j.bmcl.2019.05.037 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine