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Ligand

NameCHEMBL318882
Molecular formulaC18H18ClNO4S
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-chlorothiophene-3-carboxamide
Molecular weight379.855
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50217182
SCHEMBL8335756
Inchi KeyZFINDMDDTBLULB-LSDHHAIUSA-N
Inchi IDInChI=1S/C18H18ClNO4S/c1-9(21)10-4-5-13-12(8-10)14(15(22)18(2,3)24-13)20-17(23)11-6-7-25-16(11)19/h4-8,14-15,22H,1-3H3,(H,20,23)/t14-,15+/m0/s1
PubChem CID44330243
ChEMBLCHEMBL318882
IUPHARN/A
BindingDB50217182
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4270695-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
4270705-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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