Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06GJP
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| Former ID |
DNC000430
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| Drug Name |
Cibacron blue
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| Synonyms |
Affi gel blue; Cibacron Blue F 3GA; Cibacron Blue 3G; Cibacronblau F3G-A; Procion Blue H-B; C.I. Reactive Blue 2; UNII-J0A052J6QF; Basilen Blue; CHEBI:34946; EINECS 235-465-0; NSC 328383; J0A052J6QF; C.I. 61211; 26763-68-8; 2-Anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((3(or 4)-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-; Affi-gel blue
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C29H20ClN7O11S3
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)O)Cl)S(=O)(=O)O)S(=O)(=O)O)N
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| InChI |
1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
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| InChIKey |
YKCWQPZFAFZLBI-UHFFFAOYSA-N
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| CAS Number |
CAS 84166-13-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Glutathione-dependent PGD synthase (HPGDS) | Target Info | Inhibitor | [2] |
| BioCyc | C20 prostanoid biosynthesis | |||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| WikiPathways | Arachidonic acid metabolism | |||
| Aryl Hydrocarbon Receptor | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1739). | |||
| REF 2 | A novel method for screening the glutathione transferase inhibitors. BMC Biochem. 2009 Mar 16;10:6. | |||
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