Compound Detail
CHEMBL1160314
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Basic Information
| ChEMBL ID | CHEMBL1160314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCPGTEQSMLUDHW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.1
MW (Da)
-0.81
ALogP
4
HBA
5
HBD
158.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamine synthetase CHEMBL4612 | Ki | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamine synthetase | Ki | = | 75000.0 | nM | 4.12 | Compound was evaluated for binding affinity by the inhibition of Glutamine synth... | 2889829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2889829 | 10.1021/jm00394a022 | Glutamine synthetase | 3 |
Data from ChEMBL 36 via Core Engine