DOCOSAPENTAENOIC ACID

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NS3OZT14QT

Structure
InChI Key YUFFSWGQGVEMMI-JLNKQSITSA-N
Smile CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H34O2
Molecular Weight 330.51
AlogP 6.77
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 24.0

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
- 16800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Substance-Related Disorders 2 D019966 ClinicalTrials

Cross References

Resources Reference
ChEBI 53488
ChEMBL CHEMBL496634
FDA SRS NS3OZT14QT
Human Metabolome Database HMDB0006528
KEGG C16513
SureChEMBL SCHEMBL20748
ZINC ZINC000008860491
CONTENTS