SCH 58261   Click here for help

GtoPdb Ligand ID: 403

Synonyms: SCH-58261 | SCH58261
Compound class: Synthetic organic
Comment: SCH 58261 is a selective adenosine A2A receptor antagonist used as a research tool compound [9]. Reports of its effect in models of Parkinson's disease have been published [2,7].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.06
Molecular weight 345.13
XLogP 3.08
No. Lipinski's rules broken 0
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Canonical SMILES Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
Isomeric SMILES Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
SCH-58261 | SCH58261
Database Links Click here for help
Specialist databases
GPCRdb Ligand SCH 58261
Other databases
CAS Registry No. 160098-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL17127
GtoPdb PubChem SID 135651030
PubChem CID 176408
Search Google for chemical match using the InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UTLPKQYUXOEJIL
UniChem Compound Search for chemical match using the InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N
Wikipedia SCH-58261

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SCH 58261 (links to external site)
Cat. No. 2270