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Ligand

NameCHEMBL1203171
Molecular formulaC19H24N2OS
IUPAC name(3R)-N-(cyclohexylmethyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
Molecular weight328.474
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
Synonyms(3R)-N-(Cyclohexylmethyl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c]pyridine-3-carboxamide
BDBM50368724
CHEMBL120180
Inchi KeyAGUSVDYRTJEUHT-MRXNPFEDSA-N
Inchi IDInChI=1S/C19H24N2OS/c22-19(21-11-13-6-2-1-3-7-13)16-10-15-14-8-4-5-9-17(14)23-18(15)12-20-16/h4-5,8-9,13,16,20H,1-3,6-7,10-12H2,(H,21,22)/t16-/m1/s1
PubChem CID14925498
ChEMBLN/A
IUPHARN/A
BindingDB50368724
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
52285-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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