Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02LCH
|
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| Former ID |
DNC007372
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| Drug Name |
GRL-7234
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C36H55N5O7S
|
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| 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
|
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| 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
|
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| InChIKey |
BJOCXJJVELLFKM-LLWRDSBASA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cathepsin D | Target Info | Inhibitor | [1] | |
| Beta-secretase | Target Info | Inhibitor | [1] | ||
| 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 1 | J 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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