Compound Detail
CHEMBL1631467
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Basic Information
| ChEMBL ID | CHEMBL1631467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRHJFOQMTHUEKL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.26
ALogP
6
HBA
2
HBD
114.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | EC50 | 7.27 | 7.27 | 54.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | EC50 | 6.76 | 6.76 | 174.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.41 | 6.41 | 389.0 | 1 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | EC50 | 6.34 | 6.34 | 455.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 | EC50 | = | 54.0 | nM | 7.27 | Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus l... | 20980155 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | EC50 | = | 174.0 | nM | 6.76 | Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus l... | 20980155 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 389.0 | nM | 6.41 | Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus l... | 20980155 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 | EC50 | = | 455.0 | nM | 6.34 | Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus l... | 20980155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20980155 | 10.1016/j.bmc.2010.09.058 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 20980155 | 10.1016/j.bmc.2010.09.058 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 2 |
| 20980155 | 10.1016/j.bmc.2010.09.058 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 20980155 | 10.1016/j.bmc.2010.09.058 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine