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Ligand

NameCHEMBL235180
Molecular formulaC40H41F2N13O5
IUPAC nameethyl 3-[[[2-[[1-(2-azidoethyl)triazol-4-yl]methylamino]-2-oxoethyl]-benzylamino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight821.851
Hydrogen bond acceptor14
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50423187
Inchi KeyAQDPYVQQMJYHEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C40H41F2N13O5/c1-3-44-39(59)47-28-15-13-27(14-16-28)36-34(55-37(57)31(38(58)60-4-2)23-53(40(55)48-36)22-30-32(41)11-8-12-33(30)42)24-52(20-26-9-6-5-7-10-26)25-35(56)45-19-29-21-54(51-49-29)18-17-46-50-43/h5-16,21,23H,3-4,17-20,22,24-25H2,1-2H3,(H,45,56)(H2,44,47,59)
PubChem CID44434415
ChEMBLCHEMBL235180
IUPHARN/A
BindingDB50423187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11588Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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