Drug General Information
Drug ID
D0R5MR
Former ID
DNC008676
Drug Name
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529830]
Structure
Download
2D MOL

3D MOL

Formula
C20H18N4O2
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=CC=C3
InChI
1S/C20H18N4O2/c25-19(21-12-15-7-3-1-4-8-15)17-11-18(24-14-23-17)20(26)22-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,21,25)(H,22,26)
InChIKey
WIUCYEOLRGUYEH-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Collagenase 3 Target Info Inhibitor [529830]
NetPath Pathway IL1 Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
WikiPathways Endochondral Ossification
Activation of Matrix Metalloproteinases
Oncostatin M Signaling Pathway
AGE/RAGE pathway
Matrix Metalloproteinases
References
Ref 529830Bioorg Med Chem Lett. 2009 Jan 1;19(1):47-50. Epub 2008 Nov 18.Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13.
Ref 529830Bioorg Med Chem Lett. 2009 Jan 1;19(1):47-50. Epub 2008 Nov 18.Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13.

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