Compound Detail
CHEMBL1788265
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Basic Information
| ChEMBL ID | CHEMBL1788265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUENRUZPZZFMCA-RXMQYKEDSA-N |
10
Targets
22
Activities
3
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
129.2
MW (Da)
0.07
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 6.03
IC50 10 meas. best 7.16
Ki 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.69 | 6.685 | 204.2 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | EC50 | 6.03 | 6.025 | 940.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Sodium- and chloride-dependent GABA transporter 3 CHEMBL5208 | IC50 | 5.64 | 5.62 | 2300.0 | 2 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL1903 | IC50 | 5.6 | 5.52 | 2511.9 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.25 | 5.25 | 5600.0 | 2 |
| Sodium- and chloride-dependent GABA transporter 2 CHEMBL4535 | IC50 | 5.14 | 5.12 | 7300.0 | 2 |
| Sodium- and chloride-dependent betaine transporter CHEMBL3715 | IC50 | 5.1 | 5.05 | 7943.3 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 CHEMBL4523640 | EC50 | 5.09 | 5.09 | 8100.0 | 2 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 5.08 | 5.08 | 8317.6 | 2 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.92 | 4.92 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit rho-1 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Unchecked | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 1 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent GABA transporter 3 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Sodium- and chloride-dependent betaine transporter | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; anion channel | 2 |
| 2153214 | 10.1021/jm00163a012 | GABA-A receptor; anion channel | 1 |
| 2153214 | 10.1021/jm00163a012 | GABA B receptor | 1 |
| 2153214 | 10.1021/jm00163a012 | Unchecked | 1 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine