ANTAQ   Click here for help

GtoPdb Ligand ID: 8671

Synonyms: compound 5 [1]
Compound class: Synthetic organic
Comment: ANTAQ was developed as a probe to visualize puromycin-sensitive aminopeptidase (PSA, gene NPEPPS) in situ [1] and acts as a selective PSA inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.34
Molecular weight 338.11
XLogP 5.74
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2
Isomeric SMILES O=c1[nH]c2ccccc2c(=O)n1c1c2ccccc2cc2c1cccc2
InChI InChI=1S/C22H14N2O2/c25-21-18-11-5-6-12-19(18)23-22(26)24(21)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H,(H,23,26)
InChI Key SISSLRJYACXIQF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-anthracen-9-yl-1H-quinazoline-2,4-dione
Synonyms Click here for help
compound 5 [1]
Database Links Click here for help
ChEMBL Ligand CHEMBL169736
GtoPdb PubChem SID 252166871
PubChem CID 44381715
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UniChem Connectivity Search for chemical match using the InChIKey SISSLRJYACXIQF-UHFFFAOYSA-N