Compound Detail
CHEMBL113217
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Basic Information
| ChEMBL ID | CHEMBL113217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOPOCOPYSKJKCU-HNQUOIGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
121.1
MW (Da)
-0.07
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 280.0 | nM | 6.55 | Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650684 | 10.1021/jm00017a015 | GABA-B receptor | 1 |
Data from ChEMBL 36 via Core Engine