Drug Information

Drug General Information
Drug ID
DXW9PS
Drug Name
(4-Benzyl-benzyl)-[3-cyclohexyl-2-((R)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-propyl]-phosphinic acid
Synonyms
CHEMBL283912
Indication Discovery agent Investigative [1587926]
Formula
C31H45N2O4P
Canonical SMILES
CNC(=O)[C@H](NC(=O)C(CC1CCCCC1)CP(=O)(O)Cc2ccc(Cc3ccccc3)cc2)C(C)(C)C
InChI
InChI=1S/C31H45N2O4P/c1-31(2,3)28(30(35)32-4)33-29(34)27(20-24-13-9-6-10-14-24)22-38(36,37)21-26-17-15-25(16-18-26)19-23-11-7-5-8-12-23/h5,7-8,11-12,15-18,24,27-28H,6,9-10,13-14,19-22H2,1-4H3,(H,32,35)(H,33,34)(H,36,37)/t27?,28-/m0/s1
InChIKey
LQDHQVJPGDBOJR-CPRJBALCSA-N
Target and Pathway
Target(s) Collagenase 3 Target Info [1587926]
Interstitial collagenase Target Info [1587926]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritis
NetPath Pathway IL1 Signaling PathwayNetPath_13:IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingendothelinpathway:Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structuresR-HSA-1442490:Collagen degradation
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix MetalloproteinasesWP366:TGF beta Signaling Pathway
Bladder Cancer
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
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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