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]
Database Links
GtoPdb PubChem SID 348353673
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
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.