Drug General Information
Drug ID
D02LCH
Former ID
DNC007372
Drug Name
GRL-7234
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528786]
Structure
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2D MOL

3D MOL

Formula
C36H55N5O7S
Canonical SMILES
CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NC(C)C)O)NC(=O)C1=CC(<br />=CC(=C1)C(=O)NC(C)C2=CC=CC=C2)N(C)S(=O)(=O)C
InChI
1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
InChIKey
BJOCXJJVELLFKM-LLWRDSBASA-N
PubChem Compound ID
Target and Pathway
Target(s) Cathepsin D Target Info Inhibitor [528786]
Beta-secretase Target Info Inhibitor [528786]
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 528786J Med Chem. 2007 May 17;50(10):2399-407. Epub 2007 Apr 14.Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.
Ref 528786J Med Chem. 2007 May 17;50(10):2399-407. Epub 2007 Apr 14.Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.

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