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Ligand

NameMLS000833557
Molecular formulaC21H22ClN5OS
IUPAC nameN-(3-chloro-2-methylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
Molecular weight427.951
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsN-(3-chloro-2-methyl-phenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
HMS2780D07
Oprea1_553117
AC1MDU4V
MolPort-002-888-678
[ Show all ]
Inchi KeyIZKDAZJREYBVCJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN5OS/c1-15-17(22)9-5-10-18(15)23-20(28)26-11-6-12-27(14-13-26)21-24-19(25-29-21)16-7-3-2-4-8-16/h2-5,7-10H,6,11-14H2,1H3,(H,23,28)
PubChem CID2795769
ChEMBLCHEMBL1364108
IUPHARN/A
BindingDB97127
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145355Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
145356Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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