mesalazine

Ligand id: 2700

Name: mesalazine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 83.55
Molecular weight 153.04
XLogP 0.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name
5-Amino-2-hydroxybenzoic acid
International Nonproprietary Names
INN number INN
5444 mesalazine
Synonyms
5-aminosalicylic acid | 5-ASA | mesalamine (USAN) | Pentasa®
Database Links
BindingDB Ligand 60918
CAS Registry No. 89-57-6
ChEBI CHEBI:6775
ChEMBL Ligand CHEMBL704
DrugBank Ligand DB00244
GtoPdb PubChem SID 135649824
PubChem CID 4075
Search Google for chemical match using the InChIKey KBOPZPXVLCULAV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KBOPZPXVLCULAV
Search PubMed clinical trials mesalazine
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Search UniChem for chemical match using the InChIKey KBOPZPXVLCULAV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KBOPZPXVLCULAV
Wikipedia Mesalazine
Comments
Mesalazine is an aminosalicylate anti-inflammatory drug.