PD-146176   Click here for help

GtoPdb Ligand ID: 11390

Synonyms: PD 146176 | PD146176
Compound class: Synthetic organic
Comment: PD-146176 is a 15-LOX inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 41.09
Molecular weight 237.06
XLogP 4.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc2c(c1)SCc1c2[nH]c2c1cccc2
Isomeric SMILES c1ccc2c(c1)SCc1c2[nH]c2c1cccc2
InChI InChI=1S/C15H11NS/c1-3-7-13-10(5-1)12-9-17-14-8-4-2-6-11(14)15(12)16-13/h1-8,16H,9H2
InChI Key ZGOOPZVQMLHPFM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
PD 146176 | PD146176
Database Links Click here for help
BindingDB Ligand 50208823
ChEMBL Ligand CHEMBL180917
GtoPdb PubChem SID 440816759
PubChem CID 297589
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