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Ligand

NameASN 03068560
Molecular formulaC19H19N5O2S2
IUPAC nameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight413.514
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsAKOS000722255
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CHEMBL1409015
ZINC933566
AB00400377-10
[ Show all ]
Inchi KeyAFFUAIKUDDBWGR-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N5O2S2/c1-12-13(2)28-18(15(12)9-20)21-17(25)11-27-19-23-22-16(24(19)3)10-26-14-7-5-4-6-8-14/h4-8H,10-11H2,1-3H3,(H,21,25)
PubChem CID649323
ChEMBLCHEMBL1409015
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
4132Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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