AT-56

Ligand id: 10261

Name: AT-56

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 57.7
Molecular weight 397.23
XLogP 5.78
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-(2H-tetrazol-5-yl)butyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidine
Synonyms
AT56
Comments
AT-56 is an orally active, selective inhibitor of lipocalin-type prostaglandin D synthase (L-PGDS, PTGDS) [1].
Database Links
CAS Registry No. 162640-98-4 (source: PubChem)
GtoPdb PubChem SID 381744942
PubChem CID 11741525
Search Google for chemical match using the InChIKey LQNGMDUIRLSESZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LQNGMDUIRLSESZ
Search UniChem for chemical match using the InChIKey LQNGMDUIRLSESZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LQNGMDUIRLSESZ

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Tocris
AT 56
Cat. No. 3531