Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0J1LX
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| Former ID |
DNC008395
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| Drug Name |
Bornyl (3,4,5-trihydroxy)-cinnamate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C19H24O5
|
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| Canonical SMILES |
CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C(=C3)O)O)O)C)C
|
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| InChI |
1S/C19H24O5/c1-18(2)12-6-7-19(18,3)15(10-12)24-16(22)5-4-11-8-13(20)17(23)14(21)9-11/h4-5,8-9,12,15,20-21,23H,6-7,10H2,1-3H3/b5-4+/t12?,15?,19-/m1/s1
|
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| InChIKey |
IMMWANKYSKQCQN-UOAQAXRFSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Leukocyte elastase | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Transcriptional misregulation in cancer | ||||
| Systemic lupus erythematosus | |||||
| Pathway Interaction Database | Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | ||||
| C-MYB transcription factor network | |||||
| Reactome | Collagen degradation | ||||
| Degradation of the extracellular matrix | |||||
| Activation of Matrix Metalloproteinases | |||||
| WikiPathways | Hair Follicle Development: Cytodifferentiation (Part 3 of 3) | ||||
| Human Complement System | |||||
| Degradation of collagen | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2008 Mar 1;16(5):2385-90. Epub 2007 Nov 29.Bornyl (3,4,5-trihydroxy)-cinnamate--an optimized human neutrophil elastase inhibitor designed by free energy calculations. | ||||
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