pirinixic acid   Click here for help

GtoPdb Ligand ID: 2666

Synonyms: WY14643
PDB Ligand
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 100.41
Molecular weight 323.05
XLogP 2.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
Isomeric SMILES OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChI Key SZRPDCCEHVWOJX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanylacetic acid
International Nonproprietary Names Click here for help
INN number INN
4871 pirinixic acid
Synonyms Click here for help
WY14643
Database Links Click here for help
BindingDB Ligand 24566
CAS Registry No. 50892-23-4
ChEBI CHEBI:32509
ChEMBL Ligand CHEMBL295416
GtoPdb PubChem SID 135650834
PubChem CID 5694
RCSB PDB Ligand WY1
Search Google for chemical match using the InChIKey SZRPDCCEHVWOJX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SZRPDCCEHVWOJX
Search PubMed clinical trials pirinixic acid
Search PubMed titles pirinixic acid
Search PubMed titles/abstracts pirinixic acid
SynPHARM 6309 (in complex with Peroxisome proliferator-activated receptor-α)
UniChem Compound Search for chemical match using the InChIKey SZRPDCCEHVWOJX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SZRPDCCEHVWOJX-UHFFFAOYSA-N
Wikipedia Pirinixic_acid

Product suppliers

View disclaimer

Tocris
WY 14643 (links to external site)
Cat. No. 1312