TTD | Drug: D0R5MR

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	15052873
Target and Pathway
Target(s)	Collagenase 3	Target Info	Inhibitor	[529830]
NetPath Pathway	IL1 Signaling Pathway
PANTHER Pathway	Alzheimer disease-presenilin pathway
PANTHER 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 529830	Bioorg 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 529830	Bioorg 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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Drug Information