AZD9898

Ligand id: 10479

Name: AZD9898

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 92.62
Molecular weight 457.1
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S)-2-[5-(5-chloro-2,4-difluoro-N-(2-fluoro-2-methylpropyl)anilino)-3-methoxypyrazine-2-carbonyl]cyclopropane-1-carboxylic acid
Synonyms
AZD-9898 | example 62 [WO2016177845A1] [3]
Comments
AZD9898 is an orally active inhibitor of leukotriene C4 synthase (LTC4S) that was developed for the treatment of asthma [1].
Database Links
BindingDB Ligand 223287
ChEMBL Ligand CHEMBL3961833
GtoPdb PubChem SID 385612238
PubChem CID 122670110
Search Google for chemical match using the InChIKey RVMWIVNHZMXEHS-UWVGGRQHSA-N
Search Google for chemicals with the same backbone RVMWIVNHZMXEHS
Search UniChem for chemical match using the InChIKey RVMWIVNHZMXEHS-UWVGGRQHSA-N
Search UniChem for chemicals with the same backbone RVMWIVNHZMXEHS