Drug General Information
Drug ID
DX8UVN
Drug Name
1-(3-sulfamoylphenyl)-3-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}thiourea
Synonyms
CHEMBL232617
Indication Discovery agent Investigative [1587926]
Formula
C19H27N3O7S2
Canonical SMILES
CC1(C)O[C@@H]2CO[C@@]3(CNC(=S)Nc4cccc(c4)S(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1
InChI
InChI=1S/C19H27N3O7S2/c1-17(2)26-13-9-25-19(15(14(13)27-17)28-18(3,4)29-19)10-21-16(30)22-11-6-5-7-12(8-11)31(20,23)24/h5-8,13-15H,9-10H2,1-4H3,(H2,20,23,24)(H2,21,22,30)/t13-,14-,15+,19+/m1/s1
InChIKey
FZBBHBCZJLNRCC-CUYVQJCZSA-N
Target and Pathway
Target(s) Carbonic anhydrase II Target Info [1587926]
Carbonic anhydrase IX Target Info [1587926]
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 HIF-1-alpha transcription factor network
Reactome Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
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 ErythrocytesWP2877:Vitamin D Receptor Pathway
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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