example 373 [WO2012093101]

Ligand id: 8296

Name: example 373 [WO2012093101]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 142.48
Molecular weight 524.14
XLogP 1.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5R)-2-N-[1-carbamoyl-5-(cyanomethoxy)indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
Database Links
BindingDB Ligand 50400274
ChEMBL Ligand CHEMBL2180765
PubChem CID 57412074
Search Google for chemical match using the InChIKey SOCAXRLFGRNEPK-IFZYUDKTSA-N
Search Google for chemicals with the same backbone SOCAXRLFGRNEPK
Search UniChem for chemical match using the InChIKey SOCAXRLFGRNEPK-IFZYUDKTSA-N
Search UniChem for chemicals with the same backbone SOCAXRLFGRNEPK
Comments
Example 373 from patent WO2012093101 [2], is an exemplar small molecule complement factor D inhibitor, with potential to treat age-related macular degneration (AMD). Other preferred examples are highlighted in [1].