indomethacin

Ligand Id: 1909
Ligand name indomethacin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 66.84
Molecular weight 357.08
XLogP 3.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1965))
DrugBank groups approved
IUPAC Name
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
International Nonproprietary Names
INN number INN
1524 indometacin
Database Links
BindingDB Ligand 17638
CAS Registry No. 53-86-1
ChEBI CHEBI:49662
ChEMBL Ligand CHEMBL6
DrugBank Ligand DB00328
PharmGKB Drug PA449982
PubChem CID 3715
RCSB PDB Ligand IMN
Search Google for chemical match using the InChIKey CGIGDMFJXJATDK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CGIGDMFJXJATDK
Search PubMed clinical trials indometacin
Search PubMed titles indometacin
Search PubMed titles/abstracts indometacin
Wikipedia Indometacin
ZINC ZINC00601283
Comments
Indomethacin is a non-selective cyclooxygenase (COX) inhibitor belonging to the nonsteroidal anti-inflammatory drug (NSAID) family.