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Ligand

NameCHEMBL343578
Molecular formulaC21H25ClN4O4S2
IUPAC name3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-[3-[(dimethylamino)methyl]-2,4,6-trimethylphenyl]thiophene-2-carboxamide
Molecular weight497.025
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.0
Synonyms2-[[[3-[(Dimethylamino)methyl]-2,4,6-trimethylphenyl]amino]carbonyl]-N-(4-chloro-3-methylisoxazole-5-yl)-3-thiophenesulfonamide
SCHEMBL6589022
Inchi KeyBGJGHZXKTIGRTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25ClN4O4S2/c1-11-9-12(2)18(13(3)15(11)10-26(5)6)23-20(27)19-16(7-8-31-19)32(28,29)25-21-17(22)14(4)24-30-21/h7-9,25H,10H2,1-6H3,(H,23,27)
PubChem CID10117626
ChEMBLCHEMBL343578
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
23059Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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