FR900359

Ligand id: 9336

Name: FR900359

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 22
Hydrogen bond donors 5
Rotatable bonds 17
Topological polar surface area 285.69
Molecular weight 1001.53
XLogP 4.8
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate
Database Links
CAS Registry No. 107530-18-7 (source: PubChem)
PubChem CID 14101198
Search Google for chemical match using the InChIKey IMXKHFILKMPFGB-ZWYWTTNJSA-N
Search Google for chemicals with the same backbone IMXKHFILKMPFGB
Search UniChem for chemical match using the InChIKey IMXKHFILKMPFGB-ZWYWTTNJSA-N
Search UniChem for chemicals with the same backbone IMXKHFILKMPFGB
Comments
FR900359 from the plant Ardisia crenata is a specific inhibitor of Gq and an analogue of YM-254890. A recent report describes the total synthesis of FR900359 and analogues with SAR [1]. Note that structures with assay results are indexed in the Nature Chemistry paper as PubChem substances.