e-Drug3D

1490

CAPSAICIN

INN
CAPSAICIN

cas 404-86-4

CLASS

MUSCULO-SKELETAL SYSTEM
JOINT AND MUSCULAR PAIN
TRPV1 CHANNEL AGONIST
NEUROPATHIC PAIN ASSOCIATED WITH POSTHERPETIC NEURALGIA (PHN)
SYNTHETIC EQUIVALENT OF THE NATURALLY OCCURRING COMPOUND FOUND IN CHILI PEPPERS

ROUTE (list)

TOPICAL

ATC code

M02AB01
N01BX04

PK parameters

t1/2 1.6 HOUR

Solubility

VERY SLIGHTLY SOLUBLE IN WATER

Target

TARGET TRPV1 CATION CHANNEL

PDB
2N27 (COMPETITIVE INHIBITION OF TRPV1 CALMODULIN INTERACTION BY VANILLOIDS)

Ligand code = 4DY (link to the list of PDB complexes)

Download experimental 3D coordinates of 4DY with added hydrogens

DrugCentral

Transient receptor potential cation channel subfamily V member 1 UNIPROT Q8NER1 TRPV1

Download SDF file

6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-

Formula:
C18H27NO3

Calculated chemical properties:

MW 305.41
NB_atoms 22
XLogP 3.79
PSA 61.203
NB_HD 2
NB_HA 4
fsp3 0.50
Lipinski(0=no;1=yes) 1

FDA
NDA 022395 (label) INN (CAPSAICIN) QUTENZA (AVERITAS) APPROVAL= AP YEAR= 2009 NEWMOLECULARENTITY