BI-6901

Ligand id: 9714

Name: BI-6901

Abbreviated name: BI 6901

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 119.37
Molecular weight 453.18
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(2-cyano-1H-pyrrol-1-yl)-S-(1H-indol-4-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutane-2-sulfonamido
Synonyms
BI 6901 | BI6901 | eut-22 [1]
Comments
BI-6901 is a selective inhibitor of the chemokine receptor CCR10 [1]. This chemical structure is the active enantiomer (or eutomer) of the compound. The CCL27-CCR10 axis is a molecular target for the development of novel therapies for inflammatory skin conditions.
This ligand is one of the compounds available from Boehringer Ingelheim's opnMe molecular library.
Database Links
GtoPdb PubChem SID 348353673
PubChem CID 131801164
Search Google for chemical match using the InChIKey BRJXJOWXAFLRTE-OAQYLSRUSA-N
Search Google for chemicals with the same backbone BRJXJOWXAFLRTE
Search UniChem for chemical match using the InChIKey BRJXJOWXAFLRTE-OAQYLSRUSA-N
Search UniChem for chemicals with the same backbone BRJXJOWXAFLRTE