cilobradine

Ligand Id: 2355
Ligand name cilobradine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 60.47
Molecular weight 482.28
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
3-[[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
International Nonproprietary Names
INN number INN
6641 cilobradine
Synonyms
DK-AH269
Database Links
CAS Registry No. 147541-45-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1436376
PubChem CID 9869877
Search Google for chemical match using the InChIKey OBUFMJDDZTXJPY-NRFANRHFSA-N
Search Google for chemicals with the same backbone OBUFMJDDZTXJPY
Search PubMed clinical trials cilobradine
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Comments
There is some ambiguity in the literature and in other databases as to the exact stereochemistry of Cilobradine. This compound is also represented in the alternative isomer by CID 132989 and CHEMBL2105984.