Drug Information

Drug General Information
Drug ID
DX3CM1
Drug Name
[2-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-[4-(3-methoxy-benzyl)-benzyl]-phosphinic acid
Synonyms
CHEMBL78102
Indication Discovery agent Investigative [1587926]
Formula
C33H43N2O5P
Canonical SMILES
CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)Cc2ccc(Cc3cccc(OC)c3)cc2)C(C)(C)C
InChI
InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(19-18-24-10-7-6-8-11-24)23-41(38,39)22-26-16-14-25(15-17-26)20-27-12-9-13-29(21-27)40-5/h6-17,21,28,30H,18-20,22-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
InChIKey
HLPVNHUQEVIWBT-FUJFQHJFSA-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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