Drug Information

Drug General Information
Drug ID
DX3ITS
Drug Name
(3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid thiazol-4-ylmethyl ester
Synonyms
CHEMBL137323
Indication Discovery agent Investigative [1587926]
Formula
C29H29N5O6S
Canonical SMILES
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C[C@@H]3C(=O)NO)C(=O)OCc4cscn4)cc2)c5ccccc5n1
InChI
InChI=1S/C29H29N5O6S/c1-18-12-19(23-4-2-3-5-26(23)31-18)14-39-22-8-6-20(7-9-22)32-27(35)24-10-11-34(13-25(24)28(36)33-38)29(37)40-15-21-16-41-17-30-21/h2-9,12,16-17,24-25,38H,10-11,13-15H2,1H3,(H,32,35)(H,33,36)/t24-,25-/m0/s1
InChIKey
AOAODEKDRRDLGQ-DQEYMECFSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway Leukocyte transendothelial migration
GnRH signaling pathway
Estrogen signaling pathway
Pathways in cancer
Proteoglycans in cancer
Bladder cancerhsa04668:TNF signaling pathway
Hepatitis B
Transcriptional misregulation in cancer
MicroRNAs in cancer
Bladder cancer
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_5:ID Signaling Pathway
TWEAK Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00004:Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
amb2 Integrin signaling
ATF-2 transcription factor network
FOXM1 transcription factor network
Regulation of nuclear beta catenin signaling and target gene transcription
Syndecan-2-mediated signaling eventslysophospholipid_pathway:LPA receptor mediated events
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
FGF signaling pathway
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cells
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP474:Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Degradation of collagen
Spinal Cord Injury
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
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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