Drug Information

Drug General Information
Drug ID
DX7BXI
Drug Name
(R)-2-((S)-2-Hydroxy-3-mercapto-propyl)-nonanoic acid [(S)-1-(2-ethylamino-4-methyl-pentanoylaminocarbonyl)-3-methyl-butyl]-amide
Synonyms
CHEMBL17082
Indication Discovery agent Investigative [1587926]
Formula
C26H51N3O4S
Canonical SMILES
CCCCCCC[C@H](C[C@H](O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)C(CC(C)C)NCC
InChI
InChI=1S/C26H51N3O4S/c1-7-9-10-11-12-13-20(16-21(30)17-34)24(31)28-23(15-19(5)6)26(33)29-25(32)22(27-8-2)14-18(3)4/h18-23,27,30,34H,7-17H2,1-6H3,(H,28,31)(H,29,32,33)/t20-,21+,22?,23+/m1/s1
InChIKey
PAGLSWGGXPHWJN-DBSNRUDNSA-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

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