zacopride   

GtoPdb Ligand ID: 245

Synonyms: AHR-11190-B | iodozacopride
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 67.59
Molecular weight 309.12
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl
Isomeric SMILES COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)Cl
InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
InChI Key FEROPKNOYKURCJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-amino-N-(1-azabicyclo[2.2.2]octan-8-yl)-5-chloro-2-methoxybenzamide
International Nonproprietary Names
INN number INN
5895 zacopride
Synonyms
AHR-11190-B | iodozacopride
Database Links
BindingDB Ligand 50000492
CAS Registry No. 90182-92-6 (source: Scifinder)
ChEMBL Ligand CHEMBL18041
GtoPdb PubChem SID 135651353
PubChem CID 108182
Search Google for chemical match using the InChIKey FEROPKNOYKURCJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FEROPKNOYKURCJ
Search PubMed clinical trials zacopride
Search PubMed titles zacopride
Search PubMed titles/abstracts zacopride
Search UniChem for chemical match using the InChIKey FEROPKNOYKURCJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FEROPKNOYKURCJ
Wikipedia Zacopride