alemcinal

Ligand id: 1444

Name: alemcinal

Structure and Physico-chemical Properties

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

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
International Nonproprietary Names
INN number INN
7908 alemcinal
Synonyms
ABT 229 | ABT-229 | ABT229
Database Links
CAS Registry No. 150785-53-8 (source: Scifinder)
ChEMBL Ligand CHEMBL300049
PubChem CID 9918079
Search Google for chemical match using the InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N
Search Google for chemicals with the same backbone IWTSXJNGTTXMFK
Search PubMed clinical trials alemcinal
Search PubMed titles alemcinal
Search PubMed titles/abstracts alemcinal
Search UniChem for chemical match using the InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N
Search UniChem for chemicals with the same backbone IWTSXJNGTTXMFK