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Ligand

NameMLS001204121
Molecular formulaC20H18N6O3S
IUPAC nameN-(3-acetamidophenyl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Molecular weight422.463
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.0
SynonymsAKOS000789676
CHEMBL1365418
HMS2837B14
N-(3-Acetylamino-phenyl)-2-(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)-acetamide
SMR000504586
[ Show all ]
Inchi KeyADMFVKQUGUAIHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N6O3S/c1-11(27)21-12-4-3-5-13(8-12)22-17(28)10-30-20-24-19-18(25-26-20)15-9-14(29-2)6-7-16(15)23-19/h3-9H,10H2,1-2H3,(H,21,27)(H,22,28)(H,23,24,26)
PubChem CID24747577
ChEMBLCHEMBL1365418
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463219Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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