Compound Detail
CHEMBL446306
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Basic Information
| ChEMBL ID | CHEMBL446306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCUPFODMXRJZNL-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
2.06
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | IC50 | 5.01 | 5.01 | 9760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit rho-1 | IC50 | = | 9760.0 | nM | 5.01 | Antagonist activity at human GABAC rho1 receptor expressed in Xenopus laevis ooc... | 24900684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900684 | 10.1021/ml300476v | Gamma-aminobutyric acid receptor subunit rho-1 | 2 |
| 18528996 | 10.1021/jm7015842 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
| 18528996 | 10.1021/jm7015842 | GABA-A receptor; agonist GABA site | 1 |
| 18528996 | 10.1021/jm7015842 | Gamma-aminobutyric acid type B receptor subunit 1 | 1 |
| 24900248 | 10.1021/ml1001344 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 24900248 | 10.1021/ml1001344 | GABA-B receptor | 1 |
| 24900248 | 10.1021/ml1001344 | Gamma-aminobutyric acid receptor subunit rho-1 | 1 |
| 24900684 | 10.1021/ml300476v | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine