Ligand id: 7787

Name: cis-JB253

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 111.61
Molecular weight 457.21
XLogP 6.81
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Broichhagen J, Schönberger M, Cork SC, Frank JA, Marchetti P, Bugliani M, Shapiro AM, Trapp S, Rutter GA, Hodson DJ et al.. (2014)
Optical control of insulin release using a photoswitchable sulfonylurea.
Nat Commun5: 5116. [PMID:25311795]
2. Picard A, Moullé VS, Le Foll C, Cansell C, Véret J, Coant N, Le Stunff H, Migrenne S, Luquet S, Cruciani-Guglielmacci C et al.. (2014)
Physiological and pathophysiological implications of lipid sensing in the brain.
Diabetes Obes Metab16 Suppl 1: 49-55. [PMID:25200296]
3. Tsuboi T, Rutter GA. (2003)
Multiple forms of "kiss-and-run" exocytosis revealed by evanescent wave microscopy.
Curr. Biol.13 (7): 563-7. [PMID:12676086]