Drug Information

Drug General Information
Drug ID
DXU4AS
Drug Name
(R)-2-[(S)-1-((S)-4-Guanidino-1-phenylcarbamoyl-butylcarbamoyl)-nonylamino]-propionic acid
Synonyms
CHEMBL150628
Indication Discovery agent Investigative [1587926]
Formula
C25H42N6O4
Canonical SMILES
CCCCCCCC[C@H](N[C@H](C)C(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccccc1
InChI
InChI=1S/C25H42N6O4/c1-3-4-5-6-7-11-15-20(29-18(2)24(34)35)23(33)31-21(16-12-17-28-25(26)27)22(32)30-19-13-9-8-10-14-19/h8-10,13-14,18,20-21,29H,3-7,11-12,15-17H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/t18-,20+,21+/m1/s1
InChIKey
BVLFHPOFMVUZAF-GIVPXCGWSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Stromelysin-1 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
Transcriptional misregulation in cancer
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00050: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 eventsajdiss_2pathway: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
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
EGFR Transactivation by Gastrin
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
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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