Drug Information

Drug General Information
Drug ID
D0J1LX
Former ID
DNC008395
Drug Name
Bornyl (3,4,5-trihydroxy)-cinnamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529218]
Structure
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2D MOL

3D MOL
Formula
C19H24O5
Canonical SMILES
CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC(=C(C(=C3)O)O)O)C)C
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
InChIKey
IMMWANKYSKQCQN-UOAQAXRFSA-N
PubChem Compound ID
24882417
Target and Pathway
Target(s) Leukocyte elastase Target Info Inhibitor [529218]
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 529218Bioorg 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.
Ref 529218Bioorg 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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