I-432

Ligand id: 10733

Name: I-432

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 150.75
Molecular weight 603.18
XLogP 3.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(2R)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[3-(4,6-dichlorocyclohexa-1,5-dien-1-yl)benzenesulfonamido]-3-oxopropyl]benzene-1-carboximidamide
Synonyms
I432
Comments
I-432 is an inhibitor of the serine protease TMPRSS2 [2]. TMPRSS2, present in human airway cells, is involved in processes that support infection by a number of viruses [1], thus inhibitors of this protease are being investigated for anti-viral potential.
Database Links
GtoPdb PubChem SID 405067326
Search Google for chemical match using the InChIKey LMPUOHRYPACLDR-IQHZPMLTSA-N
Search Google for chemicals with the same backbone LMPUOHRYPACLDR
Search UniChem for chemical match using the InChIKey LMPUOHRYPACLDR-IQHZPMLTSA-N
Search UniChem for chemicals with the same backbone LMPUOHRYPACLDR