Drug Information

Drug General Information
Drug ID
DX6QKS
Drug Name
4-[5-Carboxy-5-(4'-methoxy-biphenyl-4-sulfonylamino)-pent-2-ynyl]-piperazine-1-carboxylic acid tert-butyl ester
Synonyms
CHEMBL10492
Indication Discovery agent Investigative [1587926]
Formula
C28H35N3O7S
Canonical SMILES
COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(CC#CCN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C28H35N3O7S/c1-28(2,3)38-27(34)31-19-17-30(18-20-31)16-6-5-7-25(26(32)33)29-39(35,36)24-14-10-22(11-15-24)21-8-12-23(37-4)13-9-21/h8-15,25,29H,7,16-20H2,1-4H3,(H,32,33)
InChIKey
YUOAPDQYFOIVNS-UHFFFAOYSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Collagenase 3 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 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 eventsupa_upar_pathway:Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
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
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
Oncostatin M Signaling Pathway
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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