Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R5MR
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| Former ID |
DNC008676
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| Drug Name |
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
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| Synonyms |
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide; CHEMBL468901; 135002-40-3; ZINC14574; BDBM16594; Pyrimidine Dicarboxamide Inhibitor, 2; N,N -dibenzylpyrimidine-4,6-dicarboxamide; AX8335280
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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 |
C20H18N4O2
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| Canonical SMILES |
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=CC=C3
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| 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)
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| InChIKey |
WIUCYEOLRGUYEH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Matrix metalloproteinase-13 (MMP-13) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13. Bioorg Med Chem Lett. 2009 Jan 1;19(1):47-50. | |||
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