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
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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
InChI Key FASLTMSUPQDLIB-MHZLTWQESA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
10202 adomeglivant
Synonyms Click here for help
LY2409021
Database Links Click here for help
GtoPdb PubChem SID 329968419
PubChem CID 91933867
Search Google for chemical match using the InChIKey FASLTMSUPQDLIB-MHZLTWQESA-N
Search Google for chemicals with the same backbone FASLTMSUPQDLIB
Search PubMed clinical trials adomeglivant
Search PubMed titles adomeglivant
Search PubMed titles/abstracts adomeglivant
Search UniChem for chemical match using the InChIKey FASLTMSUPQDLIB-MHZLTWQESA-N
Search UniChem for chemicals with the same backbone FASLTMSUPQDLIB