loading...| Preferred Name | alectinib | |
| Synonyms |
AF 802 AF-802 CH 5424802 CH5424802 alectinib 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
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| Definitions |
An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90936 |
|
| alternative term |
AF 802 AF-802 CH 5424802 CH5424802 alectinib 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:26487585 Reaxys:22302431 PMID:25556163 PMID:26753004 PMID:25526238 PMID:25228534 PMID:26739884 PMID:24736079 CAS:1256580-46-7 Wikipedia:Alectinib PMID:25349307 PMID:26579422 PMID:25736571 KEGG:D10542 PMID:26464158 PMID:26682573 PMID:26751586 PMID:24887559 PMID:25876560 PMID:25678258 PDBeChem:EMH PMID:25428710 Drug_Central:4937 PMID:25205428 PMID:26752591 PMID:25398579 LINCS:LSM-1202 PMID:25502629 |
|
| definition |
An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. |
|
| formula |
C30H34N4O2 |
|
| has_exact_synonym |
9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
AF 802 AF-802 CH 5424802 CH5424802 alectinib |
|
| id |
CHEBI:90936 |
|
| in_subset | ||
| 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 |
|
| is_conjugate_base_of | ||
| label |
alectinib |
|
| mass |
482.618 |
|
| monoisotopicmass |
482.26818 |
|
| notation |
CHEBI:90936 |
|
| prefLabel |
alectinib |
|
| RO_0000087 | ||
| smiles |
C1OCCN(C1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(C5=C(C4(C)C)NC=6C5=CC=C(C6)C#N)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_76224 http://purl.obolibrary.org/obo/CHEBI_38785 http://purl.obolibrary.org/obo/CHEBI_18379 |