loading...| Preferred Name |
ceritinib |
|
| Synonyms |
5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine ceritinibum ZYKADIA ceritinib |
|
| Definitions |
A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_78432 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24891360 Wikipedia:Ceritinib CAS:1032900-25-6 PMID:24984564 PMID:25002599 PMID:24856155 PMID:24670165 PMID:24963575 PMID:24963576 Drug_Central:4866 PMID:24789171 LINCS:LSM-36374 Reaxys:18383989 PMID:24675041 PMID:24980964 PMID:24998601 |
|
| definition |
A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer. |
|
| formula |
C28H36ClN5O3S |
|
| has_exact_synonym |
5-chloro-N(2)-{5-methyl-4-(piperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N(4)-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ceritinibum ZYKADIA ceritinib |
|
| id |
CHEBI:78432 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34) |
|
| inchikey |
VERWOWGGCGHDQE-UHFFFAOYSA-N |
|
| label |
ceritinib |
|
| mass |
558.137 |
|
| monoisotopicmass |
557.22274 |
|
| notation |
CHEBI:78432 |
|
| prefLabel |
ceritinib |
|
| RO_0000087 | ||
| smiles |
N=1C(=NC(=C(C1)Cl)NC=2C(=CC=CC2)S(C(C)C)(=O)=O)NC=3C=C(C(=CC3OC(C)C)C4CCNCC4)C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35850 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_36683 |