timapiprant   Click here for help

GtoPdb Ligand ID: 9277

Synonyms: OC000459 | OC459
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Timapiprant (OC000459) is a potent, selective, and orally active DP2 receptor antagonist [1-2].
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 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 55.12
Molecular weight 348.13
XLogP 1.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C
Isomeric SMILES Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C
InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
InChI Key FATGTHLOZSXOBC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
International Nonproprietary Names Click here for help
INN number INN
10483 timapiprant
Synonyms Click here for help
OC000459 | OC459
Database Links Click here for help
Specialist databases
GPCRdb Ligand timapiprant
Other databases
ChEMBL Ligand CHEMBL560993
GtoPdb PubChem SID 318164796
PubChem CID 11462174
Search Google for chemical match using the InChIKey FATGTHLOZSXOBC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FATGTHLOZSXOBC
Search PubMed clinical trials timapiprant
Search PubMed titles timapiprant
Search PubMed titles/abstracts timapiprant
UniChem Compound Search for chemical match using the InChIKey FATGTHLOZSXOBC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FATGTHLOZSXOBC-UHFFFAOYSA-N