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Ligand

NameMLS000573697
Molecular formulaC17H21Cl3N4OS2
IUPAC name3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide
Molecular weight467.852
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.6
SynonymsSMR000184547
3-methyl-N-[2,2,2-trichloro-1-({[(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]carbonothioyl}amino)ethyl]butanamide
3-methyl-N-(2,2,2-trichloro-1-{[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]amino}ethyl)butanamide
3-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]butanamide
CDS1_003556
[ Show all ]
Inchi KeyACCZQFYCWSMYTA-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21Cl3N4OS2/c1-9(2)7-13(25)22-15(17(18,19)20)24-16(26)23-14-11(8-21)10-5-3-4-6-12(10)27-14/h9,15H,3-7H2,1-2H3,(H,22,25)(H2,23,24,26)
PubChem CID2830524
ChEMBLCHEMBL1409680
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1443Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1442Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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