Ligand Id: 1444
Ligand name ABT-229

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 125.38
Molecular weight 697.48
XLogP 3.96
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,3S,4S,5R,8R,9R,10S,11R)-8-ethyl-2-[(2S,3R,4S,6R)-4-(ethyl-methylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-en-6-one
Synonyms
8,9-anhydro-4′′-deoxy-3′-N-desmethyl-3′-N-ethylerythromycin B 6,9-hemiacetal
ABT229
Alemcinal
N-ethyl,N-methyl 4'' deoxy EM-B enolether
Database Links
ChEBI CHEBI:177857
PubChem CID 9918079
Search on ChemSpider IWTSXJNGTTXMFK-KTQUSEMZSA-N

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org