Compound Detail
CHEMBL113453
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL113453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UROJZRVINWISIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
139.1
MW (Da)
-1.23
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.66
IC50 1 meas. best 7.75
Ki 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
| Unchecked | Ki | = | 94.0 | nM | 7.03 | Displacement of [3H]GABA from GABABreceptor in rat brain synaptic membranes | 18578471 |
| Unchecked | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at human recombinant GABABreceptor expressed in CHO-K1 cells as... | 18578471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578471 | 10.1021/jm701425k | Unchecked | 3 |
| 7650684 | 10.1021/jm00017a015 | GABA-B receptor | 1 |
Data from ChEMBL 36 via Core Engine