Compound Detail
CHEMBL681
ETOMIDATE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL681 |
| Name | ETOMIDATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | NPUKDXXFDDZOKR-LLVKDONJSA-N |
| Therapeutic | ✓ Yes |
11
Targets
27
Activities
3
Assay Types
5
PK Parameters
20
Publications
5
Known Names
3
Indications
1
Mechanisms
Molecular Properties
244.3
MW (Da)
2.67
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| GABA-A receptor; anion channel positive modulator | POSITIVE MODULATOR | GABA-A receptor; anion channel | ✓ | ✓ |
Indications
Hypertension Stroke Respiratory Insufficiency
ATC Classification
N01AX07
etomidate
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
Activity Summary
IC50 16 meas. best 10.0
EC50 10 meas. best 5.92
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 10.0 | 9.385 | 0.1 | 4 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 9.3 | 9.3 | 0.5 | 4 |
| Unchecked CHEMBL612545 | IC50 | 8.97 | 6.855 | 1.1 | 4 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 5.92 | 5.2367 | 1200.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.5833 | 2300.0 | 3 |
| Xenopus sp. CHEMBL612667 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Rana temporaria CHEMBL613031 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Acetylcholine receptor CHEMBL2096975 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Nicotinic acetylcholine receptor alpha1/beta1/gamma/delta CHEMBL3038460 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.21 | 4.21 | 61610.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 253.7 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.23 | - | Homo sapiens |
| MRT | 2.9 | hr | Homo sapiens |
| T1/2 | 3.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine