Drug General Information
Drug ID
DXA6LQ
Drug Name
(S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-2,15-dioxo-4-phenyl-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide
Synonyms
CHEMBL1644464
Indication Discovery agent Investigative [1587926]
Formula
C37H48N4O7S
Canonical SMILES
CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(=O)(=O)C)c4ccccc4)C(C)C
InChI
InChI=1S/C37H48N4O7S/c1-23(2)20-38-37(45)31(24(3)4)19-33(42)32-22-48-21-25-11-10-14-27(15-25)34(26-12-8-7-9-13-26)40-36(44)29-16-28(35(43)39-32)17-30(18-29)41(5)49(6,46)47/h7-18,23-24,31-34,42H,19-22H2,1-6H3,(H,38,45)(H,39,43)(H,40,44)/t31-,32-,33-,34?/m0/s1
InChIKey
NUOROLSRIMMSEX-WUPFMNCUSA-N
Target and Pathway
Target(s) Renin, renal Target Info [1587926]
Cathepsin D Target Info [1587926]
BioCyc Pathway Thyroid hormone biosynthesis
KEGG Pathway Renin-angiotensin systemhsa04071:Sphingolipid signaling pathway
Lysosome
Tuberculosis
NetPath Pathway IL2 Signaling Pathway
Pathway Interaction Database LKB1 signaling events
Ceramide signaling pathway
Direct p53 effectors
Validated nuclear estrogen receptor alpha network
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to AngiotensinsR-HSA-1442490:Collagen degradation
Metabolism of Angiotensinogen to Angiotensins
MHC class II antigen presentation
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
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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