Compound Detail
CHEMBL13458
RO-052921 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL13458 |
| Name | RO-052921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVUAAOBNUNMJQC-UHFFFAOYSA-N |
8
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
1
Known Names
Molecular Properties
236.3
MW (Da)
2.48
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 6.85
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 6.63 | 6.63 | 233.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 6.63 | 6.63 | 233.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.54 | 6.54 | 286.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 6.54 | 6.54 | 288.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| GABA A receptor alpha-3/beta-2/gamma-2 CHEMBL2111339 | Ki | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine