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Ligand

NameSMR000029149
Molecular formulaC25H30N4O4S
IUPAC nameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
Molecular weight482.599
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsN-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
AC1MMQ9L
MLS000093531
MLS000863502
CHEMBL1374191
[ Show all ]
Inchi KeyAFIAJHYZDKXGIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O4S/c1-5-18(29-25(31)20-15-23-19(11-13-34-23)28(20)16(4)27-29)24(30)26-12-10-17-8-9-21(32-6-2)22(14-17)33-7-3/h8-9,11,13-15,18H,5-7,10,12H2,1-4H3,(H,26,30)
PubChem CID3242737
ChEMBLCHEMBL1374191
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
4170Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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