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Ligand

NameSMR000092402
Molecular formulaC26H30N4O4
IUPAC nameethyl 1-benzyl-5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate
Molecular weight462.55
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsAC1MYBH7
CHEBI:107923
CHEMBL1504007
ethyl 1-benzyl-5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methylindole-3-carboxylate
HMS2253F08
[ Show all ]
Inchi KeyAGFWYRJIAJSVTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O4/c1-5-33-26(32)25-17(2)29(14-20-9-7-6-8-10-20)24-12-11-22(13-23(24)25)34-16-21(31)15-30-19(4)27-18(3)28-30/h6-13,21,31H,5,14-16H2,1-4H3
PubChem CID3829191
ChEMBLCHEMBL1504007
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
4841Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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