Drug Information

Drug General Information
Drug ID
DX1QL0
Drug Name
[2-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-[4-(2-ethyl-benzyl)-benzyl]-phosphinic acid
Synonyms
CHEMBL77128
Indication Discovery agent Investigative [1587926]
Formula
C34H45N2O4P
Canonical SMILES
CCc1ccccc1Cc2ccc(CP(=O)(O)CC(CCc3ccccc3)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc2
InChI
InChI=1S/C34H45N2O4P/c1-6-28-14-10-11-15-29(28)22-26-16-18-27(19-17-26)23-41(39,40)24-30(21-20-25-12-8-7-9-13-25)32(37)36-31(33(38)35-5)34(2,3)4/h7-19,30-31H,6,20-24H2,1-5H3,(H,35,38)(H,36,37)(H,39,40)/t30?,31-/m1/s1
InChIKey
WALHBIOGMPBGKI-NLIBRCFJSA-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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