FK-788   Click here for help

GtoPdb Ligand ID: 5855

Synonyms: FK 788 | FK788
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 96.3
Molecular weight 447.17
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)COc1cccc2c1CCC(C2)(O)COC(=O)N(c1ccccc1)c1ccccc1
Isomeric SMILES OC(=O)COc1cccc2c1CC[C@](C2)(O)COC(=O)N(c1ccccc1)c1ccccc1
InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
InChI Key UZJAIYJXBYWENR-AREMUKBSSA-N
References
1. Hattori K, Tanaka A, Okitsu O, Tabuchi S, Taniguchi K, Nishio M, Koyama S, Higaki M, Seki J, Sakane K. (2005)
Discovery of diphenylcarbamate derivatives as highly potent and selective IP receptor agonists: orally active prostacyclin mimetics. Part 3.
Bioorg. Med. Chem. Lett., 15 (12): 3091-5. [PMID:15914004]