Compound Detail
CHEMBL296263
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Basic Information
| ChEMBL ID | CHEMBL296263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQGDEPYYFWUPGO-VKHMYHEASA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
119.1
MW (Da)
-1.22
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
EC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.7 | 6.375 | 200.0 | 2 |
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| GABA transporter CHEMBL2111478 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 4.35 | 4.35 | 44800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 200.0 | nM | 6.7 | In vitro inhibition of [3H]THIP binding to Gamma-aminobutyric acid receptor in r... | 2999396 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibition of [3H]GABA binding to Gamma-aminobutyric acid receptor of r... | 2999396 |
| GABA-A receptor; anion channel | IC50 | = | 900.0 | nM | 6.05 | In vitro inhibition of [3H]P4S binding to Gamma-aminobutyric acid receptor of ra... | 2999396 |
| GABA transporter | IC50 | = | 29000.0 | nM | 4.54 | In vitro inhibition of GABA uptake in rat brain synaptic membranes | 2999396 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 44800.0 | nM | 4.35 | Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus l... | 17981464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2999396 | 10.1021/jm00149a012 | GABA-A receptor; anion channel | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 2999396 | 10.1021/jm00149a012 | Felis catus | 1 |
| 2999396 | 10.1021/jm00149a012 | Gamma-aminobutyric acid receptor subunit gamma-1 | 1 |
| 2999396 | 10.1021/jm00149a012 | GABA transporter | 1 |
| 17981464 | 10.1016/j.bmcl.2007.10.019 | Gamma-aminobutyric acid receptor subunit rho-1 | 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