Drug Information

Drug General Information
Drug ID
D0BI8T
Former ID
DNC004325
Drug Name
RS-39066
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543196]
Structure
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2D MOL

3D MOL
Formula
C22H33N3O6
InChI
InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
InChIKey
CEEASCNCHQSPKF-AEFFLSMTSA-N
PubChem Compound ID
44288042
PubChem Substance ID
103220270, 104128950, 134341530, 252166768
Target and Pathway
Target(s) Interstitial collagenase Target Info Inhibitor [551301]
Stromelysin-1 Target Info Inhibitor [551301]
Matrilysin Target Info Inhibitor [551301]
KEGG Pathway PPAR signaling pathway
Pathways in cancer
Bladder cancer
Rheumatoid arthritishsa04668:TNF signaling pathway
Transcriptional misregulation in cancer
Rheumatoid arthritishsa04310:Wnt signaling pathway
NetPath Pathway IL1 Signaling Pathway
EGFR1 Signaling Pathway
TWEAK Signaling Pathway
Wnt Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling PathwayNetPath_8:Wnt Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascadeP00050:Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
Wnt signaling pathway
CCKR signaling map ST
Pathway Interaction Database Endothelins
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Glucocorticoid receptor regulatory network
AP-1 transcription factor network
Syndecan-1-mediated signaling eventsajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signalingajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
Syndecan-1-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Basigin interactions
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)R-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
EGFR Transactivation by GastrinR-HSA-1442490:Collagen degradation
WikiPathways TGF beta Signaling Pathway
Bladder Cancer
Activation of Matrix Metalloproteinases
Degradation of collagen
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Oncostatin M Signaling Pathway
Prostate Cancer
Integrated Breast Cancer Pathway
Integrated Cancer pathway
Cell surface interactions at the vascular wall
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
Matrix MetalloproteinasesWP399:Wnt Signaling Pathway and Pluripotency
AGE/RAGE pathway
Matrix Metalloproteinases
References
Ref 543196(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8567).
Ref 551301Design, synthesis, activity, and structure of a novel class of matrix metalloproteinase inhibitors containing a heterocyclic P2??P3?? Bioorg. Med. Chem. Lett. 6(13):1541-1542 (1996).

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