Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K5QW
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| Former ID |
DNC000762
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| Drug Name |
I-309
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| Synonyms |
2050-48-8; bis(4-bromophenyl)sulfone; 4,4'-Sulfonylbis(bromobenzene); Bis(p-bromophenyl) sulfone; Sulfone, bis(p-bromophenyl); 4-Bromophenyl sulfone; 4,4'-Dibromodiphenyl sulfone; 1,1'-sulfonylbis(4-bromobenzene); 4,4'-Dibromodiphenylsulfone; Benzene, 1,1'-sulfonylbis[4-bromo-; 4,4'-DIBROMO DIPHENYL SULFONE; Bis(p-bromophenyl)sulfone; Benzene, 1,1'-sulfonylbis(4-bromo-; NSC 43047; BRN 2505841; 1-bromo-4-(4-bromophenyl)sulfonylbenzene; AI3-22602; AK112394; 1-bromo-4-(4-bromophenyl)sulfonyl-benzene
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C12H8Br2O2S
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| Canonical SMILES |
C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Br)Br
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| InChI |
1S/C12H8Br2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
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| InChIKey |
QBNABJXQGRVIRA-UHFFFAOYSA-N
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| CAS Number |
CAS 2050-48-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
97540, 593379, 607733, 1252931, 3301188, 5471014, 10227705, 10512990, 11347370, 14877682, 44426413, 48035568, 48651474, 50048893, 57968492, 77350802, 87772727, 92249723, 99246264, 104416865, 107076083, 117387606, 117931206, 126691837, 128998972, 131304634, 135052194, 140676253, 143490672, 152241300, 162178014, 163410854, 169977273, 179094727, 184583608, 223468789, 223532975, 223663682, 225159313, 226599548, 250077821, 252346079
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 8 (CCR8) | Target Info | Binder | [2] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| Viral carcinogenesis | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Chemokine receptors bind chemokines | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 812). | |||
| REF 2 | The chemokine receptor CCR8 is preferentially expressed in Th2 but not Th1 cells. J Immunol. 1998 Jul 15;161(2):547-51. | |||
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