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Ligand

NameMLS000833548
Molecular formulaC18H17F5N4S
IUPAC nameN-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide
Molecular weight416.414
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.0
Synonymscid_2795668
N-[2,4-bis(fluoranyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide
SMR000457069
N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide
ZINC13656600
[ Show all ]
Inchi KeyAGZFUQYIGOLWBU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17F5N4S/c19-13-3-4-15(14(20)10-13)25-17(28)27-7-1-6-26(8-9-27)16-5-2-12(11-24-16)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,25,28)
PubChem CID2795668
ChEMBLCHEMBL1386344
IUPHARN/A
BindingDB97129
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5352Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
5353Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463524Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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