EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:194136 - 3-BrB-PP1
| Formula | C16H18BrN5 |
| Net Charge | 0 |
| Average Mass | 360.259 |
| Monoisotopic Mass | 359.07456 |
| SMILES | CC(C)(C)n1nc(Cc2cccc(Br)c2)c2c(N)ncnc21 |
| InChI | InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20) |
| InChIKey | FTICVONBLRGQJW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine. EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2). |
| Application: | antiparasitic agent A substance used to treat or prevent parasitic infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-BrB-PP1 (CHEBI:194136) has role antiparasitic agent (CHEBI:35442) |
| 3-BrB-PP1 (CHEBI:194136) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617) |
| 3-BrB-PP1 (CHEBI:194136) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925) |
| 3-BrB-PP1 (CHEBI:194136) is a aromatic amine (CHEBI:33860) |
| 3-BrB-PP1 (CHEBI:194136) is a bromobenzenes (CHEBI:37149) |
| 3-BrB-PP1 (CHEBI:194136) is a pyrazolopyrimidine (CHEBI:38669) |
| IUPAC Name |
|---|
| 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Synonyms | Source |
|---|---|
| 3-[(3-bromophenyl)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | IUPAC |
| 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine | PDBeChem |
| 1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine | ChEBI |
| 3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine | ChEBI |
| 3BrB-PP1 | ChEBI |
| 4-amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine | ChEBI |
| Citations |
|---|