Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A2UX
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| Former ID |
DIB020948
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| Drug Name |
SITS
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| Synonyms |
4'-isothiocyanostilbene-2,2'-disulphonic acid
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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 |
C17H14N2O7S3
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| Canonical SMILES |
CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O)S(=O)(=O)O
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| InChI |
1S/C17H14N2O7S3/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26)/b3-2+
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| InChIKey |
YJCCSLGGODRWKK-NSCUHMNNSA-N
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| CAS Number |
CAS 27816-59-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:34383
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcium-dependent chloride channel anoctamin (ANO) | Target Info | Blocker (channel blocker) | [2] |
| Chloride channel protein 7 (ClC-7) | Target Info | Blocker (channel blocker) | [3] | |
| Reactome | Stimuli-sensing channels | |||
| 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: 4314). | |||
| REF 2 | 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. (Target id: 708). | |||
| REF 3 | 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. (Target id: 709). | |||
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