Compound Detail
CHEMBL447171
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Basic Information
| ChEMBL ID | CHEMBL447171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COSQDVKDGWGBPW-YFKPBYRVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
161.1
MW (Da)
0.89
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2064 | EC50 | 4.28 | 4.28 | 52200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 | EC50 | = | 52200.0 | nM | 4.28 | Agonist activity at human GABAb 1A/2 receptor expressed in Xenopus oocytes asses... | 18528996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18528996 | 10.1021/jm7015842 | Gamma-aminobutyric acid type B receptor subunit 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 |
Data from ChEMBL 36 via Core Engine