zatebradine   Click here for help

GtoPdb Ligand ID: 2358

Synonyms: UL-FS49
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 60.47
Molecular weight 456.26
XLogP 2.7
No. Lipinski's rules broken 1
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Canonical SMILES COc1ccc(cc1OC)CCN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C
Isomeric SMILES COc1ccc(cc1OC)CCN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C
InChI InChI=1S/C26H36N2O5/c1-27(13-9-19-7-8-22(30-2)23(15-19)31-3)11-6-12-28-14-10-20-16-24(32-4)25(33-5)17-21(20)18-26(28)29/h7-8,15-17H,6,9-14,18H2,1-5H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6240 zatebradine
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50326988
CAS Registry No. 85175-67-3 (source: Scifinder)
ChEMBL Ligand CHEMBL69679
GtoPdb PubChem SID 135651356
PubChem CID 65637
Search Google for chemical match using the InChIKey KEDQCFRVSHYKLR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KEDQCFRVSHYKLR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KEDQCFRVSHYKLR-UHFFFAOYSA-N