Drug Information

Drug General Information
Drug ID
D09PUF
Former ID
DNC008303
Drug Name
2-methoxyestrrone-3-O-sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529303]
Structure
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2D MOL

3D MOL
Formula
C19H25NO5S
Canonical SMILES
CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)OS(=O)(=O)N
InChI
1S/C19H25NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(25-26(20,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,19-/m0/s1
InChIKey
BTQHAWWINOTNQQ-QPWUGHHJSA-N
PubChem Compound ID
9842809
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [529303]
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 529303J Med Chem. 2008 Mar 13;51(5):1295-308. Epub 2008 Feb 9.Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents.
Ref 529303J Med Chem. 2008 Mar 13;51(5):1295-308. Epub 2008 Feb 9.Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents.

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