Drug Information

Drug General Information
Drug ID
DX5CFF
Drug Name
2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-1-(2-ethylamino-4-methyl-pentanoylcarbamoyl)-5-(toluene-4-sulfonylamino)-pentyl]-amide
Synonyms
CHEMBL278927
Indication Discovery agent Investigative [1587926]
Formula
C32H56N4O6S2
Canonical SMILES
CCCCCCCC(C(O)CS)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccc(C)cc1)C(=O)NC(=O)C(CC(C)C)NCC
InChI
InChI=1S/C32H56N4O6S2/c1-6-8-9-10-11-14-26(29(37)22-43)30(38)35-27(31(39)36-32(40)28(33-7-2)21-23(3)4)15-12-13-20-34-44(41,42)25-18-16-24(5)17-19-25/h16-19,23,26-29,33-34,37,43H,6-15,20-22H2,1-5H3,(H,35,38)(H,36,39,40)/t26?,27-,28?,29?/m0/s1
InChIKey
UHMGUSIGEQSULM-HKHBYEJGSA-N
Target and Pathway
Target(s) MMP-9 Target Info [1587926]
Stromelysin-1 Target Info [1587926]
KEGG Pathway TNF signaling pathway
Leukocyte transendothelial migration
Estrogen signaling pathway
Hepatitis B
Pathways in cancer
Transcriptional misregulation in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Bladder cancerhsa04668:TNF signaling pathway
Rheumatoid arthritis
NetPath Pathway ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00050: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
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
amb2 Integrin signaling
Syndecan-4-mediated signaling events
AP-1 transcription factor network
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 pathwayajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
EGFR Transactivation by Gastrin
WikiPathways Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Activation of Matrix Metalloproteinases
Degradation of collagen
Spinal Cord Injury
AGE/RAGE pathway
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.