Drug Information

Drug General Information
Drug ID
DXN6XR
Drug Name
{(S)-1-[3-Hydroxycarbamoyl-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl]-ethyl}-carbamic acid tert-butyl ester
Synonyms
CHEMBL138613
Indication Discovery agent Investigative [1587926]
Formula
C25H32N4O8S
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N2Cc3cc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc3CC2C(=O)NO
InChI
InChI=1S/C25H32N4O8S/c1-15(26-24(32)37-25(2,3)4)22(30)27-18-7-6-16-13-21(23(31)28-33)29(14-17(16)12-18)38(34,35)20-10-8-19(36-5)9-11-20/h6-12,15,21,33H,13-14H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/t15-,21?/m0/s1
InChIKey
PNICWAPKRSLYIU-ZDGMYTEDSA-N
Target and Pathway
Target(s) Stromelysin-1 Target Info [1587926]
Neutrophil collagenase Target Info [1587926]
KEGG Pathway TNF signaling pathway
Transcriptional misregulation in cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Pathway Interaction Database Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
EGFR Transactivation by GastrinR-HSA-1442490:Collagen degradation
WikiPathways Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
Oncostatin M Signaling Pathway
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
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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