Drug Information

Drug General Information
Drug ID
DXK3NO
Drug Name
(R)-N-(1-hydroxy-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-N-(2-morpholinoethyl)-5-(p-tolylethynyl)thiophene-2-sulfonamide
Synonyms
CHEMBL1916215
Indication Discovery agent Investigative [1587926]
Formula
C25H29N3O5S2
Canonical SMILES
Cc1ccc(cc1)C#Cc2ccc(s2)S(=O)(=O)N(CCN3CCOCC3)[C@@H]4CC=CCN(O)C4=O
InChI
InChI=1S/C25H29N3O5S2/c1-20-5-7-21(8-6-20)9-10-22-11-12-24(34-22)35(31,32)28(15-14-26-16-18-33-19-17-26)23-4-2-3-13-27(30)25(23)29/h2-3,5-8,11-12,23,30H,4,13-19H2,1H3/t23-/m1/s1
InChIKey
OQNMPVNWQUKGKU-HSZRJFAPSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa04668:TNF signaling pathway
Hepatitis B
Transcriptional misregulation in cancer
MicroRNAs in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_5:ID Signaling Pathway
TWEAK Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
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 eventslysophospholipid_pathway:LPA receptor mediated events
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
FGF signaling pathway
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
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cells
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Degradation of collagen
Spinal Cord Injury
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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