VLX1570   Click here for help

GtoPdb Ligand ID: 9413

Synonyms: VLX-1570
Compound class: Synthetic organic
Comment: VLX1570 is a competitive, reversible inhibitor of 19S proteasome-specific deubiquitylating enzymes, including ubiquitin-specific protease-14 (USP14) and ubiquitin-C-terminal hydrolase-5 (UCHL5) [1-2]; being investigated for antineoplastic/antiproliferative efficacy.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 123.66
Molecular weight 469.11
XLogP 3.81
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C=CC(=O)N1CCC(=Cc2ccc(c(c2)[N+](=O)[O-])F)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])F)C1
Isomeric SMILES C=CC(=O)N1CC/C(=C/c2ccc(c(c2)[N+](=O)[O-])F)/C(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])F)/C1
InChI InChI=1S/C23H17F2N3O6/c1-2-22(29)26-8-7-16(9-14-3-5-18(24)20(11-14)27(31)32)23(30)17(13-26)10-15-4-6-19(25)21(12-15)28(33)34/h2-6,9-12H,1,7-8,13H2/b16-9-,17-10-
InChI Key SCKXBVLYWLLALY-CQRYCMKKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-acryloyl-3,5-bis((Z)-4-fluoro-3-nitrobenzylidene)azepan-4-one
Synonyms Click here for help
VLX-1570
Database Links Click here for help
GtoPdb PubChem SID 328083515
PubChem CID 118989091
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