Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H3EJ
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| Former ID |
DNC005409
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| Drug Name |
Carbocyclic Peptidomimetic
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| Synonyms |
Carbocyclic Peptidomimetic; CHEMBL434943; OM99-2 cyclopentano analog 3; BDBM16049; N-{[(1R,2R)-2-{(1S,2S)-2-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-1-hydroxy-4-methylpentyl}cyclopentyl]carbonyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine; (4S)-4-[(2S)-2-{[(1R,2R)-2-[(1S,2S)-2-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-1-hydroxy-4-methylpentyl]cyclopentyl]formamido}propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
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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 |
C43H66N8O14
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| Canonical SMILES |
CC(C)CC(C(C1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N
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| InChI |
1S/C43H66N8O14/c1-21(2)18-29(48-41(62)30(20-32(45)52)49-42(63)35(22(3)4)51-39(60)27(44)14-16-33(53)54)36(57)25-12-9-13-26(25)38(59)46-23(5)37(58)47-28(15-17-34(55)56)40(61)50-31(43(64)65)19-24-10-7-6-8-11-24/h6-8,10-11,21-23,25-31,35-36,57H,9,12-20,44H2,1-5H3,(H2,45,52)(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,61)(H,51,60)(H,53,54)(H,55,56)(H,64,65)/t23-,25+,26+,27-,28-,29-,30-,31-,35-,36-/m0/s1
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| InChIKey |
SEJYUEISOCTKKB-SABPYFDQSA-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 | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. J Med Chem. 2005 Aug 11;48(16):5175-90. | |||
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