Drug Information

Drug General Information
Drug ID
D0BM2T
Former ID
DNC008615
Drug Name
(4-sulfamoylphenylethylthioureido)fluorescein
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529381]
Structure
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2D MOL

3D MOL
Formula
C29H23N3O8S
Canonical SMILES
C1=CC(=CC=C1CCNC(=O)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5<br />=C3C=CC(=C5)O)C(=O)O)S(=O)(=O)N
InChI
1S/C29H23N3O8S/c30-41(38,39)20-6-1-16(2-7-20)11-12-31-29(37)32-17-3-8-21(24(13-17)28(35)36)27-22-9-4-18(33)14-25(22)40-26-15-19(34)5-10-23(26)27/h1-10,13-15,33H,11-12H2,(H,35,36)(H2,30,38,39)(H2,31,32,37)
InChIKey
IYBVEUKFGRJHGL-UHFFFAOYSA-N
PubChem Compound ID
44577440
Target and Pathway
Target(s) Carbonic anhydrase IX Target Info Inhibitor [529381]
KEGG Pathway Nitrogen metabolism
Pathway Interaction Database HIF-1-alpha transcription factor network
Reactome Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxide
WikiPathways Vitamin D Receptor Pathway
Reversible Hydration of Carbon Dioxide
Regulation of Hypoxia-inducible Factor (HIF) by Oxygen
References
Ref 529381J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.
Ref 529381J Med Chem. 2008 Jun 12;51(11):3051-6. Epub 2008 Mar 19.Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.

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