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Ligand

NameCHEMBL295241
Molecular formulaC22H26N2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(4-phenylanilino)propan-2-ol
Molecular weight350.462
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsDicyclopropyl-methanone O-[3-(biphenyl-4-ylamino)-2-hydroxy-propyl]-oxime
BDBM50064204
Dicyclopropyl ketone O-[2-hydroxy-3-[(1,1'-biphenyl-4-yl)amino]propyl]oxime
Inchi KeyHEULEACPNLSMRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O2/c25-21(15-26-24-22(18-6-7-18)19-8-9-19)14-23-20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-5,10-13,18-19,21,23,25H,6-9,14-15H2
PubChem CID10528205
ChEMBLCHEMBL295241
IUPHARN/A
BindingDB50064204
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
113139Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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