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Ligand

NameCHEMBL135890
Molecular formulaC21H24N2O2S
IUPAC name2-[4-[3-(1-benzothiophen-3-yl)-3-hydroxypropyl]piperazin-1-yl]phenol
Molecular weight368.495
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL6598942
BDBM50102330
LS-192362
L018473
1-(Benzo[b]thiophene-3-yl)-3-[4-(2-hydroxyphenyl)piperazino]-1-propanol
[ Show all ]
Inchi KeyABYMPOVMMYXTTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24N2O2S/c24-19(17-15-26-21-8-4-1-5-16(17)21)9-10-22-11-13-23(14-12-22)18-6-2-3-7-20(18)25/h1-8,15,19,24-25H,9-14H2
PubChem CID10619048
ChEMBLCHEMBL135890
IUPHARN/A
BindingDB50102330
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
13065-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
13075-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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