Drug Information

Drug General Information
Drug ID
D0B4IN
Former ID
DNC006831
Drug Name
NSC-654077
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529381]
Structure
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2D MOL

3D MOL
Formula
C26H22N4O6S4
Canonical SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)SSC3=CC=CC=<br />C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
1S/C26H22N4O6S4/c27-39(33,34)19-13-9-17(10-14-19)29-25(31)21-5-1-3-7-23(21)37-38-24-8-4-2-6-22(24)26(32)30-18-11-15-20(16-12-18)40(28,35)36/h1-16H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)
InChIKey
FVGJPHFQQMQGFQ-UHFFFAOYSA-N
PubChem Compound ID
375084
Target and Pathway
Target(s) Carbonic anhydrase I Target Info Inhibitor [529381]
Carbonic anhydrase II Target Info Inhibitor [529381]
Carbonic anhydrase IX Target Info Inhibitor [529381]
KEGG Pathway Nitrogen metabolismhsa00910: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 networkhif1_tfpathway:HIF-1-alpha 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 dioxideR-HSA-1234158:Regulation of gene expression by Hypoxia-inducible Factor
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 ErythrocytesWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 529381J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.
Ref 529381J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.

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