zibotentan   Click here for help

GtoPdb Ligand ID: 3539

Synonyms: ZD 4054 | ZD-4054 | ZD4054
Compound class: Synthetic organic
Comment: Zibotentan is an endothelin receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 141.37
Molecular weight 424.1
XLogP 3.54
No. Lipinski's rules broken 0
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Canonical SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1
Isomeric SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccnc1c1ccc(cc1)c1nnco1
InChI InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)
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
8664 zibotentan
Synonyms Click here for help
ZD 4054 | ZD-4054 | ZD4054
Database Links Click here for help
Specialist databases
GPCRdb Ligand zibotentan
Other databases
CAS Registry No. 186497-07-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1628688
GtoPdb PubChem SID 178100518
PubChem CID 9910224
Search Google for chemical match using the InChIKey FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJHHZXWJVIEFGJ
Search PubMed clinical trials zibotentan
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UniChem Compound Search for chemical match using the InChIKey FJHHZXWJVIEFGJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Wikipedia Zibotentan