Compound Detail
CHEMBL4098713
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Basic Information
| ChEMBL ID | CHEMBL4098713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDFZSOMNQYUCRC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.96
ALogP
7
HBA
0
HBD
82.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | EC50 | 5.29 | 5.29 | 5150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-3/beta-3/gamma-2 | EC50 | = | 5150.0 | nM | 5.29 | Binding affinity to human GABAA alpha3beta3gamma2 receptor expressed in HEK293 c... | 27933953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933953 | 10.1021/acs.jmedchem.6b01332 | Liver | 3 |
| 27933953 | 10.1021/acs.jmedchem.6b01332 | Mus musculus | 3 |
| 27933953 | 10.1021/acs.jmedchem.6b01332 | HEK-293T | 1 |
| 27933953 | 10.1021/acs.jmedchem.6b01332 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 27933953 | 10.1021/acs.jmedchem.6b01332 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine