FK-788   

GtoPdb Ligand ID: 5855

Synonyms: FK 788 | FK788
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
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
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
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
IP receptor Hs Agonist Full agonist 8.1 pKi - 1
pKi 8.1 [1]