Compound Detail
CHEMBL230115
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Basic Information
| ChEMBL ID | CHEMBL230115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUFMERRXRMSAPZ-IMJSIDKUSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
115.1
MW (Da)
-0.33
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-2 CHEMBL2375 | EC50 | 4.76 | 4.61 | 17500.0 | 2 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 4.7 | 4.4233 | 20000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-2 | EC50 | = | 17500.0 | nM | 4.76 | Partial agonist activity with low efficacy against rho-2 subunit GABA-C receptor... | 10780899 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 20000.0 | nM | 4.7 | Partial agonist activity against rho-1 subunit GABA-C receptor expressed in Xeno... | 10780899 |
| Gamma-aminobutyric acid receptor subunit rho-2 | EC50 | = | 34500.0 | nM | 4.46 | Full agonist activity against human rho-2 subunit GABA-C receptor expressed in X... | 10780899 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 39700.0 | nM | 4.4 | Agonist activity at GABAC rho1 receptor (unknown origin) | 24900684 |
| Gamma-aminobutyric acid receptor subunit rho-1 | EC50 | = | 68000.0 | nM | 4.17 | Full agonist activity against human rho-1 subunit GABA-C receptor expressed in X... | 10780899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780899 | 10.1021/jm9904349 | Gamma-aminobutyric acid receptor subunit rho-1 | 2 |
| 10780899 | 10.1021/jm9904349 | Gamma-aminobutyric acid receptor subunit rho-2 | 2 |
| 17655213 | 10.1021/jm070447j | Unchecked | 1 |
| 18528996 | 10.1021/jm7015842 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
| 24900684 | 10.1021/ml300476v | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
Data from ChEMBL 36 via Core Engine