EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:146227 - halicin
| ChEBI ID | CHEBI:146227 |
| ChEBI Name | halicin |
| Stars | |
| Definition | A member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. |
| Last Modified | 28 February 2020 |
| Submitter | Adnan |
| Downloads |
| Formula | C5H3N5O2S3 |
| Net Charge | 0 |
| Average Mass | 261.313 |
| Monoisotopic Mass | 260.94489 |
| SMILES | Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1 |
| InChI | InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8) |
| InChIKey | NQQBNZBOOHHVQP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. c-Jun N-terminal kinase inhibitor An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| halicin (CHEBI:146227) has role antibacterial agent (CHEBI:33282) |
| halicin (CHEBI:146227) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172) |
| halicin (CHEBI:146227) is a C-nitro compound (CHEBI:35716) |
| halicin (CHEBI:146227) is a 1,3-thiazoles (CHEBI:38418) |
| halicin (CHEBI:146227) is a organic sulfide (CHEBI:16385) |
| halicin (CHEBI:146227) is a primary amino compound (CHEBI:50994) |
| halicin (CHEBI:146227) is a thiadiazoles (CHEBI:38099) |
| IUPAC Name |
|---|
| 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine |
| Synonyms | Source |
|---|---|
| 5-(5-nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | ChEBI |
| SU-3327 | ChEBI |
| SU 3327 | ChEBI |
| 5-[(5-nitro-1,3-thiazol-2-yl)thio]-1,3,4-thiadiazol-2-amine | ChEBI |
| SU3327 | ChEBI |
| 2-amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Halicin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1139980 | Reaxys |
| CAS:40045-50-9 | ChEBI |
| Citations |
|---|