PROPOFOL

Search structure
Trade Names:
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AX10
UNII: YI7VU623SF

Structure
InChI Key OLBCVFGFOZPWHH-UHFFFAOYSA-N
Smile CC(C)c1cccc(C(C)C)c1O
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18O
Molecular Weight 178.27
AlogP 3.64
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 14000 - - -
Enzyme Lyase
- - - 19500 -
Ion channel Ligand-gated ion channel GABA-A receptor
4100-50000 3950-18000 - - 55
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Brain Injuries 3 D001930 ClinicalTrials
Respiratory Distress Syndrome 3 D012128 ClinicalTrials
Intracranial Aneurysm 3 D002532 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Status Epilepticus 3 D013226 ClinicalTrials
Respiratory Insufficiency 3 D012131 ClinicalTrials
Hypertension 3 D006973 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Reperfusion Injury 3 D015427 ClinicalTrials
Subarachnoid Hemorrhage 3 D013345 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Adenomatous Polyposis Coli 3 D011125 ClinicalTrials
Stroke 3 D020521 ClinicalTrials
Liver Cirrhosis 3 D008103 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Strabismus 2 D013285 ClinicalTrials
Migraine Disorders 2 D008881 ClinicalTrials
Obesity, Morbid 2 D009767 ClinicalTrials
Hypotension 2 D007022 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Intestinal Polyps 2 D007417 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Tonsillitis 2 D014069 ClinicalTrials
Depressive Disorder, Treatment-Resistant 2 D061218 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Sepsis 1 D018805 ClinicalTrials
Amnesia 1 D000647 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials
Sleep Initiation and Maintenance Disorders 1 D007319 ClinicalTrials
Shock 1 D012769 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials
Premature Birth 1 D047928 ClinicalTrials
Shock, Septic 1 D012772 ClinicalTrials
Scoliosis 1 D012600 ClinicalTrials
Psychomotor Agitation 0 D011595 ClinicalTrials
Pruritus 0 D011537 ClinicalTrials
Osteonecrosis 0 D010020 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
12.26
General disorders and administration site conditions
9.95
Cardiac disorders
9.73
Nervous system disorders
9.2
Immune system disorders
8.17
Injury, poisoning and procedural complications
7.51
Respiratory, thoracic and mediastinal disorders
7.01
Investigations
5.13
Metabolism and nutrition disorders
5.07
Psychiatric disorders
4.52
Skin and subcutaneous tissue disorders
3.54
Musculoskeletal and connective tissue disorders
3.44
Gastrointestinal disorders
3.32
Renal and urinary disorders
3.02

Cross References

Resources Reference
CAS NUMBER 2078-54-8
ChEBI 44915
ChEMBL CHEMBL526
DrugBank DB00818
DrugCentral 2302
EPA CompTox DTXSID6023523
FDA SRS YI7VU623SF
Human Metabolome Database HMDB0014956
Guide to Pharmacology 5464
KEGG C07523
PDB PFL
PharmGKB PA451141
PubChem 4943
SureChEMBL SCHEMBL36245
ZINC ZINC000000968303
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