Ligand id: 5822

Name: DG-041

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 104.79
Molecular weight 589.93
XLogP 5.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Jugus MJ, Jaworski JP, Patra PB, Jin J, Morrow DM, Laping NJ, Edwards RM, Thorneloe KS. (2009)
Dual modulation of urinary bladder activity and urine flow by prostanoid EP3 receptors in the conscious rat.
Br. J. Pharmacol., 158 (1): 372-81. [PMID:19486006]
2. Su X, Leon LA, Wu CW, Morrow DM, Jaworski JP, Hieble JP, Lashinger ES, Jin J, Edwards RM, Laping NJ. (2008)
Modulation of bladder function by prostaglandin EP3 receptors in the central nervous system.
Am. J. Physiol. Renal Physiol., 295 (4): F984-94. [PMID:18632791]