Compound Detail
CHEMBL237582
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Basic Information
| ChEMBL ID | CHEMBL237582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTKZRIOQZSEFIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.71
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | EC50 | 5.56 | 5.56 | 2754.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | EC50 | = | 2754.23 | nM | 5.56 | Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on ... | 17884493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884493 | 10.1016/j.bmcl.2007.09.023 | GABA-B receptor | 4 |
| 17884493 | 10.1016/j.bmcl.2007.09.023 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine