Drug Information

Drug General Information
Drug ID
DXH25T
Drug Name
[2-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-[4-(2-trifluoromethyl-benzyl)-benzyl]-phosphinic acid
Synonyms
CHEMBL77666
Indication Discovery agent Investigative [1587926]
Formula
C33H40F3N2O4P
Canonical SMILES
CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(=O)(O)Cc2ccc(Cc3ccccc3C(F)(F)F)cc2)C(C)(C)C
InChI
InChI=1S/C33H40F3N2O4P/c1-32(2,3)29(31(40)37-4)38-30(39)27(19-18-23-10-6-5-7-11-23)22-43(41,42)21-25-16-14-24(15-17-25)20-26-12-8-9-13-28(26)33(34,35)36/h5-17,27,29H,18-22H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27?,29-/m1/s1
InChIKey
PAICNGFUXUHAMP-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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