Drug Information

Drug General Information
Drug ID
DXH3HW
Drug Name
4-Methyl-2-[(R)-2-oxo-2-(1H-pyrrol-2-yl)-ethyl]-pentanoic acid [2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-amide
Synonyms
CHEMBL295950
Indication Discovery agent Investigative [1587926]
Formula
C24H30N4O3
Canonical SMILES
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)c3ccc[nH]3
InChI
InChI=1S/C24H30N4O3/c1-15(2)11-16(13-22(29)20-9-6-10-26-20)23(30)28-21(24(31)25-3)12-17-14-27-19-8-5-4-7-18(17)19/h4-10,14-16,21,26-27H,11-13H2,1-3H3,(H,25,31)(H,28,30)/t16-,21+/m1/s1
InChIKey
WGYOZKBKTQRASH-IERDGZPVSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Interstitial collagenase Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa03320:PPAR signaling pathway
Bladder cancer
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventsendothelinpathway:Endothelins
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Basigin interactions
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
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 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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