Compound Detail
CHEMBL1201065
THIAMYLAL SODIUM 💊 Approved Drug
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💊 Approved Drug
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
5
Known Names
1
Mechanisms
Molecular Properties
254.3
MW (Da)
1.52
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| GABA-A receptor; anion channel positive allosteric modulator | POSITIVE ALLOSTERIC MODULATOR | GABA-A receptor; anion channel | ✓ | ✓ |
Activity Summary
EC50 4 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.39 | 5.1433 | 4100.0 | 3 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 4.34 | 4.34 | 45900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 4100.0 | nM | 5.39 | Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 6400.0 | nM | 5.19 | Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 14100.0 | nM | 4.85 | Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 45900.0 | nM | 4.34 | Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... | 20966043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 9 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
Data from ChEMBL 36 via Core Engine