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Ligand

NameSMR000046898
Molecular formulaC20H19N7O3S2
IUPAC name2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Molecular weight469.538
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.0
SynonymsCHEMBL1390005
2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
MLS000084021
AKOS005516544
HMS2295C16
[ Show all ]
Inchi KeyATZKGDNDJGVKBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N7O3S2/c1-20(2)6-12-13(8-30-20)32-17-15(12)16-22-10-23-27(16)18-24-25-19(26(17)18)31-9-14(28)21-7-11-4-3-5-29-11/h3-5,10H,6-9H2,1-2H3,(H,21,28)
PubChem CID665622
ChEMBLCHEMBL1390005
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14450Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
14451Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
14452Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
14449Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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