Compound Detail
CHEMBL325921
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Basic Information
| ChEMBL ID | CHEMBL325921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWCIPYZWXPUGRM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.63
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| GABA B receptor CHEMBL2111474 | IC50 | 5.7 | 5.61 | 1979.0 | 2 |
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2753 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
| GABA B receptor | IC50 | = | 1979.0 | nM | 5.7 | Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
| Gamma-aminobutyric acid type B receptor subunit 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of binding of [3H]CGP-27492 to gamma-aminobutyric acid type B recepto... | 7650685 |
| GABA B receptor | IC50 | = | 3000.0 | nM | 5.52 | In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650684 | 10.1021/jm00017a015 | GABA-B receptor | 1 |
| 7650684 | 10.1021/jm00017a015 | GABA-A receptor; anion channel | 1 |
| 7650684 | 10.1021/jm00017a015 | GABA B receptor | 1 |
| - | 10.1016/S0960-894X(01)81218-X | GABA B receptor | 1 |
| 7650685 | 10.1021/jm00017a016 | Gamma-aminobutyric acid type B receptor subunit 1 | 1 |
| 7650685 | 10.1021/jm00017a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine