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Ligand

NameSMR000130086
Molecular formulaC23H30N4O5S
IUPAC nameN-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
Molecular weight474.576
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.2
SynonymsAC1MSXCE
AKOS001767772
CHEMBL1467890
HMS2378A18
MCULE-8890430533
[ Show all ]
Inchi KeyADOOZFZMBVAYAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N4O5S/c28-18(14-27-15-25-21-20(22(27)30)16-4-1-2-5-17(16)33-21)24-9-3-6-19(29)26-10-7-23(8-11-26)31-12-13-32-23/h15H,1-14H2,(H,24,28)
PubChem CID3566531
ChEMBLCHEMBL1467890
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463225Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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