Drug Information

Drug General Information
Drug ID
D02DCD
Former ID
DNC010017
Drug Name
4-(4-tert-butylbenzylideneamino)benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530416]
Structure
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2D MOL

3D MOL
Formula
C18H19NO2
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
1S/C18H19NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-12H,1-3H3,(H,20,21)
InChIKey
CZLMLVYXQCJOGH-UHFFFAOYSA-N
PubChem Compound ID
45483280
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [530416]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretion
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
Reactome Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
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 Erythrocytes
References
Ref 530416Bioorg Med Chem Lett. 2009 Nov 1;19(21):6014-7. Epub 2009 Sep 17.Carbonic anhydrase II-induced selection of inhibitors from a dynamic combinatorial library of Schiff's bases.
Ref 530416Bioorg Med Chem Lett. 2009 Nov 1;19(21):6014-7. Epub 2009 Sep 17.Carbonic anhydrase II-induced selection of inhibitors from a dynamic combinatorial library of Schiff's bases.

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