BI605906

Ligand id: 9357

Name: BI605906

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 156
Molecular weight 432.11
XLogP 1.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-amino-4-(1,1-difluoropropyl)-6-(4-methylsulfonylpiperidin-1-yl)thieno[5,4-b]pyridine-2-carboxamide
Synonyms
3-Amino-4-(1,1-difluoro- propyl)-6-(4-methanesulfonyl- piperidin-1-yl)-thieno[2,3- b]pyridine-2-carboxylic acid amide | compound 115 [US20070293533]
Database Links
PubChem CID 23652660
Search Google for chemical match using the InChIKey IYHHRZBKXXKDDY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IYHHRZBKXXKDDY
Search UniChem for chemical match using the InChIKey IYHHRZBKXXKDDY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IYHHRZBKXXKDDY
Comments
BI605906 is an inhibitor of IKKβ (IKBKB) [1]. Inhibitors of the kinase activity of the IκB kinase (IKK) complex are in development as novel therapeutics for IKK mediated diseases including autoimmune, inflammatory and cardiovascular diseases, and cancer. A chemical series inluding this structure is claimed in patent US20070293533 [2].