ETOMIDATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N01AX07
UNII: Z22628B598

Structure
InChI Key NPUKDXXFDDZOKR-LLVKDONJSA-N
Smile CCOC(=O)c1cncn1[C@H](C)c1ccccc1
InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H16N2O2
Molecular Weight 244.29
AlogP 2.67
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 44.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR GABA-A receptor; anion channel positive modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11B Cytochrome P450 11B1
- 1-1 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11B Cytochrome P450 11B2
- 0-2 - - -
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 1
Ion channel Ligand-gated ion channel GABA-A receptor
1200-64000 - - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 41000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor beta subunit
- 41000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor delta subunit
- 41000 - - -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor gamma subunit
- 41000 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 61610 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.58
Nervous system disorders
15.08
Cardiac disorders
11.06
Metabolism and nutrition disorders
9.55
Endocrine disorders
7.54
Injury, poisoning and procedural complications
7.54
Eye disorders
4.52
Psychiatric disorders
4.02
Vascular disorders
3.52
Immune system disorders
3.02
Investigations
3.02
Musculoskeletal and connective tissue disorders
2.51
Pregnancy, puerperium and perinatal conditions
2.51
Respiratory, thoracic and mediastinal disorders
2.51
Gastrointestinal disorders
2.01

Cross References

Resources Reference
CAS NUMBER 33125-97-2
ChEBI 4910
ChEMBL CHEMBL681
DrugBank DB00292
DrugCentral 1109
FDA SRS Z22628B598
Human Metabolome Database HMDB0014437
Guide to Pharmacology 5463
KEGG C07522
PDB V8D
PubChem 667484
SureChEMBL SCHEMBL39487
ZINC ZINC000000001408
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