Drug Information

Drug General Information
Drug ID
DXW0TA
Drug Name
{(S)-2-[(S)-2-Cyclohexyl-1-(2-morpholin-4-yl-ethylcarbamoyl)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphonic acid
Synonyms
CHEMBL306779
Indication Discovery agent Investigative [1587926]
Formula
C27H44N3O6P
Canonical SMILES
OP(=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCN3CCOCC3
InChI
InChI=1S/C27H44N3O6P/c31-26(24(21-37(33,34)35)13-7-12-22-8-3-1-4-9-22)29-25(20-23-10-5-2-6-11-23)27(32)28-14-15-30-16-18-36-19-17-30/h1,3-4,8-9,23-25H,2,5-7,10-21H2,(H,28,32)(H,29,31)(H2,33,34,35)/t24-,25+/m1/s1
InChIKey
PENUYKDCGZXPRG-RPBOFIJWSA-N
Target and Pathway
Target(s) 72 kDa type IV collagenase Target Info [1587926]
Stromelysin-1 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
Transcriptional misregulation in cancer
Rheumatoid arthritis
NetPath Pathway Leptin Signaling Pathway
TCR Signaling Pathway
ID Signaling PathwayNetPath_13:IL1 Signaling Pathway
IL4 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathwayP00050: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 eventsajdiss_2pathway:Posttranslational regulation of adherens junction stability and dissassembly
p75(NTR)-mediated signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
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
EGFR Transactivation by Gastrin
WikiPathways Activation of Matrix Metalloproteinases
AGE/RAGE pathway
Matrix MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Gastrin-CREB signalling pathway via PKC and MAPK
Oncostatin M Signaling Pathway
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

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.