Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02LCH
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| Former ID |
DNC007372
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| Drug Name |
GRL-7234
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| Synonyms |
GRL-7234; N-[(1s,2s,4r)-2-Hydroxy-1-Isobutyl-5-({(1s)-1-[(Isopropylamino)carbonyl]-2-Methylpropyl}amino)-4-Methyl-5-Oxopentyl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]isophthalamide; 2p4j; Isophthalamide Derivative 5d; CHEMBL387771; BDBM16259; 23I; 1-N-[(1R,3S,4S)-3-hydroxy-1,6-dimethyl-1-{[(1S)-2-methyl-1-(propan-2-ylcarbamoyl)propyl]carbamoyl}heptan-4-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| 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(=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 | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-secretase (BACE) | Target Info | Inhibitor | [1] |
| Cathepsin D (CTSD) | Target Info | Inhibitor | [1] | |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands. J Med Chem. 2007 May 17;50(10):2399-407. | |||
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