Drug Information

Drug General Information
Drug ID
D0P6RT
Former ID
DIB019434
Drug Name
compound 3
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534030]
Structure
Download
2D MOL
Formula
C35H52F2N6O8S
InChI
InChI=1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
InChIKey
MQDDTALXSBQTQP-DTXPUJKBSA-N
PubChem Compound ID
10078814
Target and Pathway
Target(s) progastricsin (pepsinogen C) Target Info Inhibitor [534030]
cathepsin E Target Info Inhibitor [534030]
Cathepsin D Target Info Inhibitor [534030]
pepsinogen 5, group I (pepsinogen A) Target Info Inhibitor [534030]
BioCyc Pathway Thyroid hormone biosynthesis
KEGG Pathway 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
Reactome Collagen degradation
Metabolism of Angiotensinogen to Angiotensins
MHC class II antigen presentation
References
Ref 534030Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation. J Med Chem. 1993 Sep 3;36(18):2614-20.
Ref 534030Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation. J Med Chem. 1993 Sep 3;36(18):2614-20.

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