Compound Detail
CHEMBL40157
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Basic Information
| ChEMBL ID | CHEMBL40157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIIVUOWTHWIXFO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
0.96
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2753 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 2500.0 | nM | 5.6 | In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor s... | - |
| Gamma-aminobutyric acid type B receptor subunit 1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of binding of [3H]CGP-27492 to gamma-aminobutyric acid type B recepto... | 7650685 |
| Unchecked | IC50 | = | 62000.0 | nM | 4.21 | Antagonistic activity was measured by the inhibition of Gamma-aminobutyric acid ... | - |
| Cavia porcellus | IC50 | = | 65000.0 | nM | 4.19 | Antagonistic activity was measured by the reversal inhibition of EFS stimulated ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00267-3 | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(01)81218-X | GABA B receptor | 1 |
| - | 10.1016/S0960-894X(96)00267-3 | Unchecked | 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