Compound Detail
CHEMBL273481
MUSCIMOL Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL273481 |
| Name | MUSCIMOL |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | ZJQHPWUVQPJPQT-UHFFFAOYSA-N |
10
Targets
52
Activities
4
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications
Molecular Properties
114.1
MW (Da)
-0.16
ALogP
4
HBA
2
HBD
72.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Epilepsy Parkinson Disease
Activity Summary
EC50 32 meas. best 7.27
IC50 12 meas. best 8.7
Ki 5 meas. best 8.59
Kd 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 8.7 | 7.79 | 2.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 8.59 | 8.37 | 2.6 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.52 | 8.2814 | 3.0 | 7 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 8.22 | 8.09 | 6.0 | 2 |
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.82 | 7.82 | 15.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.27 | 6.1275 | 53.7 | 12 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | EC50 | 6.68 | 6.675 | 210.0 | 4 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 6.39 | 6.39 | 407.4 | 4 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.27 | 6.27 | 537.0 | 4 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 6.16 | 6.0217 | 691.8 | 6 |
| Gamma-aminobutyric acid receptor subunit rho-2 CHEMBL2375 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
| GABA-A receptor; agonist GABA site CHEMBL2109244 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17655213 | 10.1021/jm070447j | Unchecked | 9 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | Gamma-aminobutyric acid receptor subunit rho-1 | 3 |
| 2536440 | 10.1021/jm00122a025 | Mus musculus | 3 |
| 23294161 | 10.1021/jm301473k | Unchecked | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA A receptor alpha-2/beta-2/gamma-2 | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA A receptor alpha-3/beta-2/gamma-2 | 3 |
| - | 10.1039/C5MD00442J | Unchecked | 3 |
| 7392039 | 10.1021/jm00180a029 | Mus musculus | 3 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | Unchecked | 3 |
| 23294161 | 10.1021/jm301473k | GABA A receptor alpha-2/beta-2/gamma-2 | 2 |
| 7392039 | 10.1021/jm00180a029 | GABA-A receptor; anion channel | 2 |
| 1331456 | 10.1021/jm00100a015 | GABA-A receptor; anion channel | 2 |
| 7420361 | 10.1021/jm00184a017 | GABA-A receptor; anion channel | 2 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 423190 | 10.1021/jm00187a022 | Mus musculus | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8496700 | 10.1021/np50094a001 | Unchecked | 2 |
| 23294161 | 10.1021/jm301473k | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 23294161 | 10.1021/jm301473k | Gamma-aminobutyric acid receptor subunit rho-1 | 2 |
Data from ChEMBL 36 via Core Engine