Compound Detail
CHEMBL454606
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Basic Information
| ChEMBL ID | CHEMBL454606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOVRZNUMIKACTB-UHFFFAOYSA-N |
9
Targets
9
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.89
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.0
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5 CHEMBL5112 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-4 CHEMBL2472 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-6 CHEMBL2579 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine