zinterol   Click here for help

GtoPdb Ligand ID: 3466

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 107.04
Molecular weight 378.16
XLogP 2.94
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C
Isomeric SMILES OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C
InChI InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3
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
4301 zinterol
Database Links Click here for help
Specialist databases
GPCRdb Ligand zinterol
Other databases
CAS Registry No. 37000-20-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1243407
GtoPdb PubChem SID 178100460
PubChem CID 37990
Search Google for chemical match using the InChIKey XJBCFFLVLOPYBV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XJBCFFLVLOPYBV
Search PubMed clinical trials zinterol
Search PubMed titles zinterol
Search PubMed titles/abstracts zinterol
UniChem Compound Search for chemical match using the InChIKey XJBCFFLVLOPYBV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XJBCFFLVLOPYBV-UHFFFAOYSA-N
Wikipedia Zinterol