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Ligand

NameCHEMBL324412
Molecular formulaC23H36N2O4
IUPAC name1-[(Z)-[9a-(2-hydroxyethoxy)-4b,5,6,7,8,9-hexahydrobenzo[a]azulen-10-ylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
Molecular weight404.551
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50017380
9a-(2-Hydroxy-ethoxy)-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azulen-10-one O-(3-tert-butylamino-2-hydroxy-propyl)-oxime
Inchi KeyAXLFESSRWLZLBV-DAFNUICNSA-N
Inchi IDInChI=1S/C23H36N2O4/c1-22(2,3)24-15-17(27)16-29-25-21-19-10-7-6-9-18(19)20-11-5-4-8-12-23(20,21)28-14-13-26/h6-7,9-10,17,20,24,26-27H,4-5,8,11-16H2,1-3H3/b25-21-
PubChem CID44338132
ChEMBLCHEMBL324412
IUPHARN/A
BindingDB50017380
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16815Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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