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Ligand

NameCHEMBL44396
Molecular formulaC16H21IN2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(2-iodoanilino)propan-2-ol
Molecular weight400.26
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsDicyclopropyl-methanone O-[2-hydroxy-3-(2-iodo-phenylamino)-propyl]-oxime
BDBM50064225
Dicyclopropyl ketone O-[2-hydroxy-3-[(2-iodophenyl)amino]propyl]oxime
Inchi KeyBTHPOKAPWFMVTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H21IN2O2/c17-14-3-1-2-4-15(14)18-9-13(20)10-21-19-16(11-5-6-11)12-7-8-12/h1-4,11-13,18,20H,5-10H2
PubChem CID11797214
ChEMBLCHEMBL44396
IUPHARN/A
BindingDB50064225
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
32347Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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