Drug Information

Drug General Information
Drug ID
D05QEK
Former ID
DNC005128
Drug Name
Aminobenzolamide derivative
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527261]
Formula
C28H38N14O8S8
Canonical SMILES
C1CN(CCN1CCCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)S(<br />=O)(=O)N)CCCNC(=S)NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(S5)S(<br />=O)(=O)N
InChI
1S/C28H38N14O8S8/c29-55(43,44)27-37-35-25(53-27)39-57(47,48)21-7-3-19(4-8-21)33-23(51)31-11-1-13-41-15-17-42(18-16-41)14-2-12-32-24(52)34-20-5-9-22(10-6-20)58(49,50)40-26-36-38-28(54-26)56(30,45)46/h3-10H,1-2,11-18H2,(H,35,39)(H,36,40)(H2,29,43,44)(H2,30,45,46)(H2,31,33,51)(H2,32,34,52)
InChIKey
OCNLOXNOURUUDD-UHFFFAOYSA-N
PubChem Compound ID
44395692
Target and Pathway
Target(s) Carbonic anhydrase II Target Info Inhibitor [527261]
Carbonic anhydrase IX Target Info Inhibitor [527261]
Carbonic anhydrase I Target Info Inhibitor [527261]
KEGG Pathway Nitrogen metabolism
Proximal tubule bicarbonate reclamation
Collecting duct acid secretion
Gastric acid secretion
Pancreatic secretion
Bile secretionhsa00910:Nitrogen metabolismhsa00910:Nitrogen metabolism
NetPath Pathway IL4 Signaling Pathway
EGFR1 Signaling Pathway
Pathway Interaction Database HIF-1-alpha transcription factor networkcmyb_pathway:C-MYB 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-1234158:Regulation of gene expression by Hypoxia-inducible Factor
Reversible hydration of carbon dioxideR-HSA-1237044:Erythrocytes take up carbon dioxide and release oxygen
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 OxygenWP2770:Reversible Hydration of Carbon Dioxide
Uptake of Oxygen and Release of Carbon Dioxide by Erythrocytes
References
Ref 527261Bioorg Med Chem Lett. 2004 Dec 6;14(23):5775-80.Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides derived from 4-isothiocyanato-benzolamide.
Ref 527261Bioorg Med Chem Lett. 2004 Dec 6;14(23):5775-80.Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides derived from 4-isothiocyanato-benzolamide.

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