SC-22716   Click here for help

GtoPdb Ligand ID: 9102

Synonyms: SC 22716
Compound class: Synthetic organic
Comment: SC-22716 is an experimental leukotriene A4 hydrolase inhibitor. It was the primary lead for the SAR study reported in [1]. SC-22716 acts as a potent, competitive and reversible inhibitor of the hydrolase and peptidase activities of human leukotriene A4 hydrolase.
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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 5
Topological polar surface area 12.47
Molecular weight 267.16
XLogP 4.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCN(C1)CCOc1ccc(cc1)c1ccccc1
Isomeric SMILES C1CCN(C1)CCOc1ccc(cc1)c1ccccc1
InChI InChI=1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
InChI Key PKUGRVAJRGZDJP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine
Synonyms Click here for help
SC 22716
Database Links Click here for help
BindingDB Ligand 50085251
CAS Registry No. 262451-89-8 (source: PubChem)
ChEMBL Ligand CHEMBL119054
GtoPdb PubChem SID 315661187
PubChem CID 10333202
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