SM04690

Ligand id: 9620

Name: SM04690

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 112.24
Molecular weight 505.2
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(5-{3-[7-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide
Database Links
Search Google for chemical match using the InChIKey AQDWDWAYVBQMAM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AQDWDWAYVBQMAM
Search UniChem for chemical match using the InChIKey AQDWDWAYVBQMAM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AQDWDWAYVBQMAM
Comments
SM04690 is a Wnt pathway inhibitor being developed by Samumed for immunomodulatory potential. It is example 10 claimed in patent US20160297812 [2]. The chemical structure shown here was produced using the IUPAC name submitted to the WHO for the proposed INN adavivint (via SMILES generated using Chemicalize). This SMILES string resolves to PubChem CID 123710737, although some of the double bonds in the molecule are not fully resolved, when compared to the images in US20160297812. CID 89837869 is an alternative representation.