loading...| Preferred Name |
Cobimetinib |
|
| Synonyms |
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone cobimetinib GDC 0973 GDC-0973 GDC0973 RG 7420 RG7420 XL518 Xl 518 Xl-518 |
|
| Definitions |
A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90851 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:934660-93-2 PMID:25813936 PMID:26365290 PMID:25037139 DrugBank:DB05239 PMID:25142409 PDBeChem:EUI PMID:25444546 Drug_Central:5046 Reaxys:12883594 PMID:25243894 PMID:26451002 PMID:26452567 PMID:25265494 PMID:24589925 KEGG:D10405 PMID:26384788 Wikipedia:Cobimetinib |
|
| definition |
A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. |
|
| formula |
C21H21F3IN3O2 |
|
| has role | ||
| has_exact_synonym |
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
cobimetinib GDC 0973 GDC-0973 GDC0973 RG 7420 RG7420 XL518 Xl 518 Xl-518 |
|
| has_RxCUI |
1722365 |
|
| id |
CHEBI:90851 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1 |
|
| inchikey |
BSMCAPRUBJMWDF-KRWDZBQOSA-N |
|
| is conjugate base of | ||
| label |
cobimetinib Cobimetinib |
|
| mass |
531.311 |
|
| monoisotopicmass |
531.06306 |
|
| notation |
CHEBI:90851 |
|
| prefLabel |
Cobimetinib |
|
| smiles |
C1=C(C(=C(C(=C1)C(N2CC(C2)(O)[C@H]3NCCCC3)=O)NC4=CC=C(C=C4F)I)F)F |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_46959 http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_37142 |