Compound Detail
CHEMBL112960
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Basic Information
| ChEMBL ID | CHEMBL112960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIYPJKHBLQXEEO-SYPWQXSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
153.1
MW (Da)
-0.84
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 12800.0 | nM | 4.89 | 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