Compound Detail
CHEMBL73096
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Basic Information
| ChEMBL ID | CHEMBL73096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLZWYQYDWCXHTF-UHFFFAOYSA-N |
11
Targets
11
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.50
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 7.09
IC50 3 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.02 | 7.02 | 96.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 6.86 | 6.86 | 138.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 6.86 | 6.86 | 138.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.5 | 6.5 | 318.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 6.5 | 6.5 | 318.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2848124 | 10.1021/jm00120a002 | GABA-A receptor; anion channel | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 21306904 | 10.1016/j.bmc.2011.01.010 | Trypanosoma brucei brucei | 1 |
| 18537233 | 10.1021/jm701433b | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
| 18537233 | 10.1021/jm701433b | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
| 2848124 | 10.1021/jm00120a002 | Unchecked | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 2848124 | 10.1021/jm00120a002 | Gastrin/cholecystokinin type B receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor | 1 |
| 2848124 | 10.1021/jm00120a002 | Cholecystokinin receptor type A | 1 |
| 10633039 | 10.1021/jm990341r | Unchecked | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 10633039 | 10.1021/jm990341r | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine