Drug Information

Drug General Information
Drug ID
DX9P5R
Drug Name
(4-Benzyl-benzyl)-[2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-(3-fluoro-phenyl)-butyl]-phosphinic acid
Synonyms
CHEMBL445894
Indication Discovery agent Investigative [1587926]
Formula
C32H40FN2O4P
Canonical SMILES
CNC(=O)[C@@H](NC(=O)C(CCc1cccc(F)c1)CP(=O)(O)Cc2ccc(Cc3ccccc3)cc2)C(C)(C)C
InChI
InChI=1S/C32H40FN2O4P/c1-32(2,3)29(31(37)34-4)35-30(36)27(18-17-24-11-8-12-28(33)20-24)22-40(38,39)21-26-15-13-25(14-16-26)19-23-9-6-5-7-10-23/h5-16,20,27,29H,17-19,21-22H2,1-4H3,(H,34,37)(H,35,36)(H,38,39)/t27?,29-/m1/s1
InChIKey
RPNGFLLEKVAIHJ-ZBAATNBSSA-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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