Drug Information

Drug General Information
Drug ID
D0BR1D
Former ID
DNC008728
Drug Name
4,6-Dinitro salicylic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529721]
Formula
C7H4N2O7
Canonical SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)O)[N+](=O)[O-]
InChI
1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
InChIKey
AQBLBIVMAAUENI-UHFFFAOYSA-N
PubChem Compound ID
13443185
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [529721]
Carbonic anhydrase I Target Info Inhibitor [529721]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolism
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Gastric Acid Production
Reactome Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
Reversible hydration of carbon dioxide
WikiPathways Reversible Hydration of Carbon Dioxide
Uptake of Carbon Dioxide and Release of Oxygen by Erythrocytes
Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 529721Bioorg Med Chem. 2008 Oct 15;16(20):9101-5. Epub 2008 Sep 13.In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.
Ref 529721Bioorg Med Chem. 2008 Oct 15;16(20):9101-5. Epub 2008 Sep 13.In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.

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