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Ligand

NameCHEMBL98195
Molecular formulaC18H19NO4S
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiophene-3-carboxamide
Molecular weight345.413
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50217228
SCHEMBL6889942
Inchi KeyWRTOKPSXGVEQHE-JKSUJKDBSA-N
Inchi IDInChI=1S/C18H19NO4S/c1-10(20)11-4-5-14-13(8-11)15(16(21)18(2,3)23-14)19-17(22)12-6-7-24-9-12/h4-9,15-16,21H,1-3H3,(H,19,22)/t15-,16+/m0/s1
PubChem CID44330231
ChEMBLCHEMBL98195
IUPHARN/A
BindingDB50217228
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
3807425-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
3807435-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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