Drug General Information
Drug ID	D0L6HN
Former ID	DNC010455
Drug Name	PHENOL
Drug Type	Small molecular drug
Indication	Discovery agent		Phase 2/3	[525296]
Structure		Download 2D MOL 3D MOL
Formula	C6H6O
Canonical SMILES	C1=CC(=C(C=C1Cl)C(C2=C(C=CC(=C2)Cl)O)C(Cl)(Cl)Cl)O
InChI	1S/C14H9Cl5O2/c15-7-1-3-11(20)9(5-7)13(14(17,18)19)10-6-8(16)2-4-12(10)21/h1-6,13,20-21H
InChIKey	HDYCPSGGGILQTK-UHFFFAOYSA-N
CAS Number	CAS 108-95-2
PubChem Compound ID	996
SuperDrug ATC ID	C05BB05; D08AE03; N01BX03; R02AA19
Target and Pathway
Target(s)	Carbonic anhydrase I	Target Info	Inhibitor	[531068]
	Carbonic anhydrase IV	Target Info	Inhibitor	[531068]
	Carbonic anhydrase	Target Info	Inhibitor	[531068]
	Carbonic anhydrase XII	Target Info	Inhibitor	[531068]
	Carbonic anhydrase II	Target Info	Inhibitor	[531068]
	Carbonic anhydrase XIV	Target Info	Inhibitor	[531068]
	Carbonic anhydrase IX	Target Info	Inhibitor	[531068]
KEGG Pathway	Nitrogen metabolismhsa00910:Nitrogen metabolism
	Proximal tubule bicarbonate reclamationhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
	Proximal tubule bicarbonate reclamation
	Collecting duct acid secretion
	Gastric acid secretion
	Pancreatic secretion
	Bile secretionhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
NetPath Pathway	TGF_beta_Receptor Signaling PathwayNetPath_16: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-1475029: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 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
	miR-targeted genes in muscle cell - TarBase
	miR-targeted genes in leukocytes - TarBase
	miR-targeted genes in epithelium - TarBaseWP2770:Reversible Hydration of Carbon Dioxide
	Uptake of Oxygen and Release of Carbon Dioxide by ErythrocytesWP2770:Reversible Hydration of Carbon DioxideWP2877:Vitamin D Receptor Pathway
	Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 525296	ClinicalTrials.gov (NCT02527187) Determination of the Sensitivity and Specificity of Prick Test Betula Verrucosa.
Ref 531068	Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3. Epub 2010 Jul 13.Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.

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