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].
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2D Structure
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Physico-chemical Properties
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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
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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
ChEMBL Ligand CHEMBL560993
GtoPdb PubChem SID 318164796
PubChem CID 11462174
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UniChem Compound Search for chemical match using the InChIKey FATGTHLOZSXOBC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FATGTHLOZSXOBC-UHFFFAOYSA-N