Drug Information

Drug General Information
Drug ID
DX1VWS
Drug Name
4-Benzylsulfanyl-2-[[(dicyclohexylmethyl-carbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide
Synonyms
CHEMBL322619
Indication Discovery agent Investigative [1587926]
Formula
C33H47N3O6S2
Canonical SMILES
COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C2CCCCC2)C3CCCCC3)C(CCSCc4ccccc4)C(=O)NO
InChI
InChI=1S/C33H47N3O6S2/c1-42-28-17-19-29(20-18-28)44(40,41)36(30(33(38)35-39)21-22-43-24-25-11-5-2-6-12-25)23-31(37)34-32(26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2,5-6,11-12,17-20,26-27,30,32,39H,3-4,7-10,13-16,21-24H2,1H3,(H,34,37)(H,35,38)
InChIKey
FCHACJJPJSMUHO-UHFFFAOYSA-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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