PAC-14028

Ligand id: 9621

Name: PAC-14028

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 96.54
Molecular weight 491.13
XLogP 5.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-propyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
Synonyms
asivatrep (proposed INN) | Example 230 [US7858621]
Database Links
CAS Registry No. 1005168-10-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL3707398
PubChem CID 56649347
Search Google for chemical match using the InChIKey UKGJZDSUJSPAJL-YPUOHESYSA-N
Search Google for chemicals with the same backbone UKGJZDSUJSPAJL
Search UniChem for chemical match using the InChIKey UKGJZDSUJSPAJL-YPUOHESYSA-N
Search UniChem for chemicals with the same backbone UKGJZDSUJSPAJL
Comments
PAC-14028 is an antagonist of the transient receptor potential vanilloid type 1 (TRPV1) channel, developed by AmorePacific for anti-inflammatory potential in refractory dermatoses [2]. It is claimed as example 230 in patent US7858621 [1]. PAC-14028 is administered topically for skin inflammation. The formal IUPAC name for this compound matches that submitted to the WHO for proposed INN asivatrep.