adomeglivant   Click here for help

GtoPdb Ligand ID: 9479

Synonyms: LY2409021
Approved drug
adomeglivant is an approved drug
Compound class: Synthetic organic
Comment: Potent, selective small-molecule glucagon receptor antagonist that lowers glucose
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 75.63
Molecular weight 555.26
XLogP 9.47
No. Lipinski's rules broken 2
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Canonical SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F
Isomeric SMILES OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F
InChI InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
glucagon receptor Hs Antagonist Antagonist 8.2 pKi - 1-2
pKi 8.2 (Ki 6.66x10-9 M) [1-2]