Drug General Information
Drug ID
DXW53P
Drug Name
(2S)-2-({3-[Hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)carbonyl]-amino}ethyl)phosphinyl]-(2R)-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxopropyl}amino)1H-Indole-3-propanoic Acid
Synonyms
CHEMBL577754
Indication Discovery agent Investigative [1587926]
Formula
C40H39N4O8P
Canonical SMILES
OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc3onc(c3)c4ccccc4)CP(=O)(O)[C@H](Cc5ccccc5)NC(=O)OCc6ccccc6
InChI
InChI=1S/C40H39N4O8P/c45-38(42-36(39(46)47)22-30-24-41-34-19-11-10-18-33(30)34)31(21-32-23-35(44-52-32)29-16-8-3-9-17-29)26-53(49,50)37(20-27-12-4-1-5-13-27)43-40(48)51-25-28-14-6-2-7-15-28/h1-19,23-24,31,36-37,41H,20-22,25-26H2,(H,42,45)(H,43,48)(H,46,47)(H,49,50)/t31-,36-,37+/m0/s1
InChIKey
ITMFWUAKJPURIP-NINLVYDZSA-N
Target and Pathway
Target(s) Collagenase 3 Target Info [1587926]
Neutral endopeptidase Target Info [1587926]
KEGG Pathway Renin-angiotensin system
Hematopoietic cell lineage
Protein digestion and absorption
Alzheimer's disease
NetPath Pathway IL1 Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structuresR-HSA-2022377:Metabolism of Angiotensinogen to Angiotensins
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix MetalloproteinasesWP2729:Metabolism of Angiotensinogen to Angiotensins
Primary Focal Segmental Glomerulosclerosis FSGS
Alzheimers Disease
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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