Drug Information

Drug General Information
Drug ID
DX7BUX
Drug Name
2-((2S,5R)-2-(4-nitrobenzyl)-5-(mercaptomethyl)-3,6-dioxopiperazin-1-yl)-N-tert-butyl-2-phenylacetamide
Synonyms
CHEMBL282581
Indication Discovery agent Investigative [1587926]
Formula
C24H28N4O5S
Canonical SMILES
CC(C)(C)NC(=O)C(N1[C@@H](Cc2ccc(cc2)[N+](=O)[O-])C(=O)N[C@@H](CS)C1=O)c3ccccc3
InChI
InChI=1S/C24H28N4O5S/c1-24(2,3)26-22(30)20(16-7-5-4-6-8-16)27-19(21(29)25-18(14-34)23(27)31)13-15-9-11-17(12-10-15)28(32)33/h4-12,18-20,34H,13-14H2,1-3H3,(H,25,29)(H,26,30)/t18-,19-,20?/m0/s1
InChIKey
UTVKWFNGXGAJBU-NFBCFJMWSA-N
Target and Pathway
Target(s) Interstitial collagenase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritishsa04668:TNF signaling pathway
Leukocyte transendothelial migration
Estrogen signaling pathway
Hepatitis B
Transcriptional misregulation in cancer
Proteoglycans in cancer
MicroRNAs in cancer
NetPath Pathway IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling PathwayNetPath_5:ID Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
Pathway Interaction Database Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling eventslysophospholipid_pathway:LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
amb2 Integrin signaling
Syndecan-4-mediated signaling events
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
Regulation of nuclear beta catenin signaling and target gene transcription
FGF signaling pathway
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)R-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cells
WikiPathways TGF beta Signaling Pathway
Bladder Cancer
Activation of Matrix Metalloproteinases
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Spinal Cord Injury
AGE/RAGE pathway
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix Metalloproteinases
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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