compound 2 [PMID: 22380603]

Ligand id: 8829

Name: compound 2 [PMID: 22380603]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 180.26
Molecular weight 528.16
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jedlitschky G, Burchell B, Keppler D. (2000)
The multidrug resistance protein 5 functions as an ATP-dependent export pump for cyclic nucleotides.
J. Biol. Chem., 275 (39): 30069-74. [PMID:10893247]
2. Sager G, Ørvoll EØ, Lysaa RA, Kufareva I, Abagyan R, Ravna AW. (2012)
Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies.
J. Med. Chem., 55 (7): 3049-57. [PMID:22380603]