PIPERINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: U71XL721QK

Structure
InChI Key MXXWOMGUGJBKIW-YPCIICBESA-N
Smile O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChI
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19NO3
Molecular Weight 285.34
AlogP 3.0
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 38.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A1
- - - - 42
Enzyme Hydrolase
- - - - 0
Enzyme Oxidoreductase
- 483-1050 - 19000 11
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- 42300 - - -
Ion channel Ligand-gated ion channel GABA-A receptor
52400 - - - -
Ion channel Voltage-gated ion channel Transient receptor potential channel
3162 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 186

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 1 D010146 ClinicalTrials
Deglutition Disorders 1 D003680 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 28821
ChEMBL CHEMBL43185
DrugBank DB12582
EPA CompTox DTXSID3021805
FDA SRS U71XL721QK
Human Metabolome Database HMDB0029377
Guide to Pharmacology 2489
KEGG C03882
PDB AYR
SureChEMBL SCHEMBL94058
ZINC ZINC000001529772
CONTENTS