TTD | Drug: D0B4IN

Drug General Information
Drug ID	D0B4IN
Former ID	DNC006831
Drug Name	NSC-654077
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529381]
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
NetPath 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 529381	J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.
Ref 529381	J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.

Drug Information