psora-4   Click here for help

GtoPdb Ligand ID: 9583

Synonyms: 5-(4-phenylbutoxy)psoralen | psora 4
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Psora-4 is a potent small molecule Kv1.3 channel blocker. It preferentially binds the C-type inactivated state of the channel.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 52.58
Molecular weight 334.12
XLogP 5.4
No. Lipinski's rules broken 1
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Canonical SMILES O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1
Isomeric SMILES O=c1ccc2c(o1)cc1c(c2OCCCCc2ccccc2)cco1
InChI InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
5-(4-phenylbutoxy)psoralen | psora 4
Database Links Click here for help
BindingDB Ligand 50331458
ChEMBL Ligand CHEMBL1256851
GtoPdb PubChem SID 340590214
PubChem CID 6603977
Search Google for chemical match using the InChIKey JJAWGNIQEOFURP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey JJAWGNIQEOFURP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JJAWGNIQEOFURP-UHFFFAOYSA-N

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Psora 4 (links to external site)
Cat. No. 4367