Compound Detail
CHEMBL34155
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Basic Information
| ChEMBL ID | CHEMBL34155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGBJGGRINDTHIH-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
-0.37
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 4.7
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 CHEMBL2095190 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | EC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | EC50 | = | 20000.0 | nM | 4.7 | Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-5-beta... | 11412984 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 | EC50 | = | 20000.0 | nM | 4.7 | Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-6-beta... | 11412984 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | EC50 | = | 26000.0 | nM | 4.58 | Agonist activity on human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamm... | 11412984 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | EC50 | = | 40000.0 | nM | 4.4 | Effective agonist dose for human Gamma-aminobutyric acid A receptor alpha-1-beta... | 11412984 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | EC50 | = | 65000.0 | nM | 4.19 | Agonist activity on human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamm... | 11412984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA A receptor alpha-4/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 2 |
| 11412984 | 10.1016/s0960-894x(01)00184-6 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 2 |
| 10780899 | 10.1021/jm9904349 | GABA-C receptor | 1 |
| 10780899 | 10.1021/jm9904349 | GABA-A receptor; anion channel | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine