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CHEBI:90936 - alectinib
| Formula | C30H34N4O2 |
| Net Charge | 0 |
| Average Mass | 482.628 |
| Monoisotopic Mass | 482.26818 |
| SMILES | CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1nc3cc(C#N)ccc3c1C2=O |
| InChI | InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3 |
| InChIKey | KDGFLJKFZUIJMX-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | 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). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| alectinib (CHEBI:90936) has role antineoplastic agent (CHEBI:35610) |
| alectinib (CHEBI:90936) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) |
| alectinib (CHEBI:90936) is a aromatic ketone (CHEBI:76224) |
| alectinib (CHEBI:90936) is a morpholines (CHEBI:38785) |
| alectinib (CHEBI:90936) is a nitrile (CHEBI:18379) |
| alectinib (CHEBI:90936) is a organic heterotetracyclic compound (CHEBI:38163) |
| alectinib (CHEBI:90936) is a piperidines (CHEBI:26151) |
| alectinib (CHEBI:90936) is conjugate base of alectinib(1+) (CHEBI:90937) |
| Incoming Relation(s) |
| alectinib(1+) (CHEBI:90937) is conjugate acid of alectinib (CHEBI:90936) |
| IUPAC Name |
|---|
| 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
| INN | Source |
|---|---|
| alectinib | KEGG DRUG |
| Synonyms | Source |
|---|---|
| AF 802 | ChemIDplus |
| AF-802 | ChemIDplus |
| CH 5424802 | ChemIDplus |
| CH5424802 | ChemIDplus |
| Citations |
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