nedocromil   Click here for help

GtoPdb Ligand ID: 7607

Synonyms: FPL-59002 | nedocromil sodium | Rapitil® | Tilade®
Approved drug Immunopharmacology Ligand
nedocromil is an approved drug (FDA (1992))
Compound class: Synthetic organic
Comment: Nedocromil is considered to be a mast cell stabilising drug. Chemically it belongs to the benzopyrone family of compounds. In the US, production of inhaled nedocromil was terminated in 2008.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: nedocromil

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 126.81
Molecular weight 371.1
XLogP 5.15
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O
Isomeric SMILES CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(=O)O)C(=O)O
InChI InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1992))
IUPAC Name Click here for help
9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid
International Nonproprietary Names Click here for help
INN number INN
5420 nedocromil
Synonyms Click here for help
FPL-59002 | nedocromil sodium | Rapitil® | Tilade®
Database Links Click here for help
CAS Registry No. 69049-73-6
DrugBank Ligand DB00716
DrugCentral Ligand 1889
GtoPdb PubChem SID 223365942
PubChem CID 50294
Search Google for chemical match using the InChIKey RQTOOFIXOKYGAN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RQTOOFIXOKYGAN
Search PubMed clinical trials nedocromil
Search PubMed titles nedocromil
Search PubMed titles/abstracts nedocromil
UniChem Compound Search for chemical match using the InChIKey RQTOOFIXOKYGAN-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RQTOOFIXOKYGAN-UHFFFAOYSA-N
Wikipedia Nedocromil