Drug Information

Drug General Information
Drug ID
DXC9OD
Drug Name
2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamoyl)-5,5,5-trifluoropentyl(4-benzylbenzyl)phosphinic acid
Synonyms
CHEMBL254401
Indication Discovery agent Investigative [1587926]
Formula
C27H36F3N2O4P
Canonical SMILES
CNC(=O)[C@@H](NC(=O)C(CCC(F)(F)F)CP(=O)(O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
InChI
InChI=1S/C27H36F3N2O4P/c1-26(2,3)23(25(34)31-4)32-24(33)22(14-15-27(28,29)30)18-37(35,36)17-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,22-23H,14-18H2,1-4H3,(H,31,34)(H,32,33)(H,35,36)/t22?,23-/m1/s1
InChIKey
IHXYDMMVEDLUPK-OZAIVSQSSA-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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