PARTHENOLIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2RDB26I5ZB

Structure
InChI Key KTEXNACQROZXEV-SLXBATTESA-N
Smile C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21
InChI
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20O3
Molecular Weight 248.32
AlogP 2.76
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 38.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 14
Enzyme Oxidoreductase
- 800 - - -
Enzyme Protease Cysteine protease Cysteine protease CD clan Cysteine protease C14 family
- - - 10600 -
Enzyme Transferase
- 27800 - - -
Enzyme
- 1050-8000 - 10600 14
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 100000 -
Other cytosolic protein
- 3400 - - -
Transcription factor
- 17410-17418 - - 74
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 114
Unclassified protein
- - - - 26

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL540445
DrugBank DB13063
FDA SRS 2RDB26I5ZB
KEGG C07609
PubChem 5420805
SureChEMBL SCHEMBL5487404
ZINC ZINC000030726283
CONTENTS