Compound Detail
CHEMBL302213
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Basic Information
| ChEMBL ID | CHEMBL302213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPYSYYIEGFHWSV-MRVPVSSYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
213.7
MW (Da)
1.86
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
| Unchecked | IC50 | = | 1770.0 | nM | 5.75 | Displacement of [3H]baclofen from GABA-B receptor in cat cerebellum | 25856547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650684 | 10.1021/jm00017a015 | Rattus norvegicus | 3 |
| 10354414 | 10.1021/jm990076+ | Cavia porcellus | 2 |
| 7650684 | 10.1021/jm00017a015 | GABA-B receptor | 1 |
| 7650684 | 10.1021/jm00017a015 | GABA-A receptor; anion channel | 1 |
| 7650684 | 10.1021/jm00017a015 | Unchecked | 1 |
| 10354414 | 10.1021/jm990076+ | GABA-A receptor; anion channel | 1 |
| 10354414 | 10.1021/jm990076+ | GABA B receptor | 1 |
| 25856547 | 10.1021/jm5018913 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine