Ligand id: 4749

Name: estrone-3-sulphate

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 89.05
Molecular weight 350.12
XLogP 1.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H. (2000)
Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta.
J. Biol. Chem., 275 (6): 4507-12. [PMID:10660625]
2. Gui C, Obaidat A, Chaguturu R, Hagenbuch B. (2010)
Development of a cell-based high-throughput assay to screen for inhibitors of organic anion transporting polypeptides 1B1 and 1B3.
Curr Chem Genomics, 4: 1-8. [PMID:20448812]
3. Kusuhara H, Sekine T, Utsunomiya-Tate N, Tsuda M, Kojima R, Cha SH, Sugiyama Y, Kanai Y, Endou H. (1999)
Molecular cloning and characterization of a new multispecific organic anion transporter from rat brain.
J. Biol. Chem., 274 (19): 13675-80. [PMID:10224140]