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Ligand

NameASN 07460871
Molecular formulaC18H24N2O4S
IUPAC name[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
Molecular weight364.46
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
Synonyms4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
MCULE-8980086181
AKOS024315804
SMR000008043
CHEMBL1611841
[ Show all ]
Inchi KeyABXDMCJXFUNBAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N2O4S/c1-11(2)16(17(21)19-10-12-5-4-7-23-12)24-18(22)14-9-15-13(20(14)3)6-8-25-15/h6,8-9,11-12,16H,4-5,7,10H2,1-3H3,(H,19,21)
PubChem CID653323
ChEMBLCHEMBL1611841
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
1272Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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