palosuran   Click here for help

GtoPdb Ligand ID: 3516

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 77.49
Molecular weight 418.24
XLogP 2.88
No. Lipinski's rules broken 0
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Canonical SMILES O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1
Isomeric SMILES O=C(Nc1cc(C)nc2c1cccc2)NCCN1CCC(CC1)(O)Cc1ccccc1
InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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
8425 palosuran
Database Links Click here for help
Specialist databases
GPCRdb Ligand palosuran
Other databases
CAS Registry No. 540769-28-6 (source: Scifinder)
ChEMBL Ligand CHEMBL567303
GtoPdb PubChem SID 178100499
PubChem CID 10173280
Search Google for chemical match using the InChIKey WYJCYXOCHXWTHG-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey WYJCYXOCHXWTHG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WYJCYXOCHXWTHG-UHFFFAOYSA-N