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Ligand

NameCHEMBL176365
Molecular formulaC20H21N3
IUPAC name11-(1-methylpiperidin-4-ylidene)-5,6-dihydropyrrolo[2,1-b][3]benzazepine-9-carbonitrile
Molecular weight303.409
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50026963
11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]pyrrolo[1,2-a]azepine-9-carbonitrile
Inchi KeyBUQZDJWQOJESIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,9,13H,6-8,10-12H2,1H3
PubChem CID12909388
ChEMBLCHEMBL176365
IUPHARN/A
BindingDB50026963
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
33287Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
33286Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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