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. It has been assessed as an anti-cancer treatment. Click here to link to ClinicalTrials.gov's list of zibotentan/ZD4054 trials.
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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
SMILES / InChI / InChIKey
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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)
InChI Key FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide
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
CAS Registry No. 186497-07-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1628688
GtoPdb PubChem SID 178100518
PubChem CID 9910224
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Wikipedia Zibotentan