fevipiprant   Click here for help

GtoPdb Ligand ID: 8995

Synonyms: NVP-QAW039 | QAW039
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Fevipiprant is an orally available, selective antagonist of the prostanoid DP2 receptor (CRTh2) with anti-inflammatory action [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 97.64
Molecular weight 426.09
XLogP 3.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Isomeric SMILES OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
InChI Key GFPPXZDRVCSVNR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
9682 fevipiprant
Synonyms Click here for help
NVP-QAW039 | QAW039
Database Links Click here for help
CAS Registry No. 872365-14-5
ChEMBL Ligand CHEMBL3137332
GtoPdb PubChem SID 310264773
PubChem CID 23582412
RCSB PDB Ligand FSY
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UniChem Compound Search for chemical match using the InChIKey GFPPXZDRVCSVNR-UHFFFAOYSA-N
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