Drug Information

Drug General Information
Drug ID
D0U1AN
Former ID
DNC005245
Drug Name
4-isothiocyanatobenzenesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527233]
Structure
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2D MOL

3D MOL
Formula
C7H6N2O2S2
Canonical SMILES
C1=CC(=CC=C1N=C=S)S(=O)(=O)N
InChI
1S/C7H6N2O2S2/c8-13(10,11)7-3-1-6(2-4-7)9-5-12/h1-4H,(H2,8,10,11)
InChIKey
IMDUFDNFSJWYQT-UHFFFAOYSA-N
PubChem Compound ID
521359
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [527233]
Carbonic anhydrase I Target Info Inhibitor [527233]
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 527233J Med Chem. 2004 Oct 7;47(21):5224-9.Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library.
Ref 527233J Med Chem. 2004 Oct 7;47(21):5224-9.Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library.

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