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Ligand

NameCHEMBL368475
Molecular formulaC20H21F3N2S
IUPAC name11-(1-methylpiperidin-4-ylidene)-9-(trifluoromethylsulfanyl)-5,6-dihydropyrrolo[2,1-b][3]benzazepine
Molecular weight378.457
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50026973
11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethylsulfanyl-6,11-dihydro-5H-benzo[d]pyrrolo[1,2-a]azepine
Inchi KeyFIYYHZQEJYUHEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,9,13H,6-8,10-12H2,1H3
PubChem CID13141187
ChEMBLCHEMBL368475
IUPHARN/A
BindingDB50026973
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
79510Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
79511Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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