ICOSAPENT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: AAN7QOV9EA

Structure
InChI Key JAZBEHYOTPTENJ-JLNKQSITSA-N
Smile CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30O2
Molecular Weight 302.46
AlogP 5.99
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 53200 - - -
Enzyme Oxidoreductase
- 13000 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 78000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- 2000 - - -
Membrane receptor
- 2000 - - -
Surface antigen
- 78000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
- 1100-1100 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
- 4000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
- 1600 2000 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
- - - 7632 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 3 D003866 ClinicalTrials
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Hypertriglyceridemia 3 D015228 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Adenomatous Polyposis Coli 3 D011125 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Cardiovascular Diseases 3 D002318 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Cholestasis 3 D002779 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Intestinal Diseases 3 D007410 ClinicalTrials
Cachexia 3 D002100 ClinicalTrials
Glomerulonephritis, IGA 3 D005922 ClinicalTrials
Anorexia 3 D000855 ClinicalTrials
Psychotic Disorders 2 D011618 ClinicalTrials
Breast Neoplasms, Male 2 D018567 ClinicalTrials
Phobia, Social 2 D000072861 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Fatty Liver 2 D005234 ClinicalTrials
Inflammation 2 D007249 ClinicalTrials
Carcinoma, Lobular 2 D018275 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 2 D002285 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Schizophrenia 2 D012559 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Epilepsy 2 D004827 ClinicalTrials
Liver Diseases 2 D008107 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Substance-Related Disorders 2 D019966 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Adenoma 2 D000236 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Brain Concussion 2 D001924 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Feeding and Eating Disorders 1 D001068 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Aging 1 D000375 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Kidney Diseases 0 D007674 ClinicalTrials

Cross References

Resources Reference
ChEBI 28364
ChEMBL CHEMBL460026
DrugBank DB00159
DrugCentral 3174
EPA CompTox DTXSID9041023
FDA SRS AAN7QOV9EA
Human Metabolome Database HMDB0001999
Guide to Pharmacology 3362
KEGG C06428
PDB EPA
PharmGKB PA164746077
SureChEMBL SCHEMBL20469
ZINC ZINC000004474603
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