Drug Information

Drug General Information
Drug ID
D07QJJ
Former ID
DNC008513
Drug Name
CATECHOL
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530751]
Structure
Download
2D MOL

3D MOL
Formula
C6H6O2
Canonical SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
InChIKey
PFTAWBLQPZVEMU-HIFRSBDPSA-N
PubChem Compound ID
289
Target and Pathway
Target(s) Carbonic anhydrase Target Info Inhibitor [530751]
Carbonic anhydrase IV Target Info Inhibitor [530751]
Carbonic anhydrase II Target Info Inhibitor [530751]
Carbonic anhydrase XII Target Info Inhibitor [530751]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamationhsa00910: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 PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
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-1475029: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
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBase
References
Ref 530751Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. Epub 2010 Feb 6.Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.
Ref 530751Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. Epub 2010 Feb 6.Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.

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