EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:90536 - PQIP
| Formula | C30H31N7 |
| Net Charge | 0 |
| Average Mass | 489.627 |
| Monoisotopic Mass | 489.26409 |
| SMILES | [H][C@]1(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C[C@@]([H])(N2CCN(C)CC2)C1 |
| InChI | InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h2-12,19,23-24H,13-18H2,1H3,(H2,31,32)/t23-,24+ |
| InChIKey | PDJARQSWGDDFHH-PSWAGMNNSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | insulin-like growth factor receptor 1 antagonist An antagonist at the insulin-like growth factor receptor 1. EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PQIP (CHEBI:90536) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) |
| PQIP (CHEBI:90536) has role insulin-like growth factor receptor 1 antagonist (CHEBI:75252) |
| PQIP (CHEBI:90536) is a N-alkylpiperazine (CHEBI:46845) |
| PQIP (CHEBI:90536) is a aromatic amine (CHEBI:33860) |
| PQIP (CHEBI:90536) is a imidazopyrazine (CHEBI:37847) |
| PQIP (CHEBI:90536) is a primary amino compound (CHEBI:50994) |
| PQIP (CHEBI:90536) is a quinolines (CHEBI:26513) |
| IUPAC Name |
|---|
| 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine |
| Manual Xrefs | Databases |
|---|---|
| D94 | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12423292 | Reaxys |
| Reaxys:12923638 | Reaxys |
| Citations |
|---|