Compound Detail
CHEMBL303580
GABAZINE BROMIDE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL303580 |
| Name | GABAZINE BROMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFZHNFOGCMEYTA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL32503 |
| Active Moiety | CHEMBL32503 |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
1.90
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.16
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.16 | 7.0367 | 70.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 70.0 | nM | 7.16 | Affinity for GABA-A receptor alpha by inhibiting binding of [3H]muscimol to rat ... | 12036354 |
| GABA-A receptor; anion channel | Ki | = | 74.0 | nM | 7.13 | Displacement of [3H]muscimol from rat brain gamma-aminobutyric-acid GABA-A recep... | 15658856 |
| Unchecked | Ki | = | 140.0 | nM | 6.85 | Displacement of [3H]GABA from gamma-aminobutyric-acid A (GABA-A) receptor | 1317920 |
| GABA-A receptor; anion channel | Ki | = | 150.0 | nM | 6.82 | Binding affinity, determined by its ability to displace the [3H]GABA from Gamma-... | 3027337 |
| Mus musculus | IC50 | = | 240.0 | nM | 6.62 | Electrophysiology using Whole-cell patch-clamp recordings in mouse embryos | 12036354 |
| Rattus norvegicus | IC50 | = | 240.0 | nM | 6.62 | In vitro concentration required to inhibit peak currents in cerebral cortical ne... | 15658856 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 1317920 | 10.1021/jm00089a005 | Unchecked | 1 |
| 12036354 | 10.1021/jm020027o | GABA-A receptor; anion channel | 1 |
| 12036354 | 10.1021/jm020027o | Gamma-aminobutyric acid type B receptor subunit 1 | 1 |
| 12036354 | 10.1021/jm020027o | Mus musculus | 1 |
| 3027337 | 10.1021/jm00385a003 | GABA-A receptor; anion channel | 1 |
| 15658856 | 10.1021/jm049256w | GABA-A receptor; anion channel | 1 |
| 15658856 | 10.1021/jm049256w | Rattus norvegicus | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine