CHEBI:90851 - cobimetinib

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ChEBI Name 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H21F3IN3O2
Net Charge 0
Average Mass 531.311
Monoisotopic Mass 531.06306
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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): EC (mitogen-activated protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cobimetinib (CHEBI:90851) has role antineoplastic agent (CHEBI:35610)
cobimetinib (CHEBI:90851) has role EC (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
cobimetinib (CHEBI:90851) is a N-acylazetidine (CHEBI:46959)
cobimetinib (CHEBI:90851) is a aromatic amine (CHEBI:33860)
cobimetinib (CHEBI:90851) is a difluorobenzene (CHEBI:38582)
cobimetinib (CHEBI:90851) is a organoiodine compound (CHEBI:37142)
cobimetinib (CHEBI:90851) is a piperidines (CHEBI:26151)
cobimetinib (CHEBI:90851) is a secondary amino compound (CHEBI:50995)
cobimetinib (CHEBI:90851) is a tertiary alcohol (CHEBI:26878)
cobimetinib (CHEBI:90851) is conjugate base of cobimetinib(1+) (CHEBI:90854)
Incoming cobimetinib(1+) (CHEBI:90854) is conjugate acid of cobimetinib (CHEBI:90851)
INN Source
cobimetinib KEGG DRUG
Synonyms Sources
GDC 0973 ChemIDplus
GDC-0973 ChemIDplus
GDC0973 DrugBank
RG 7420 ChemIDplus
RG7420 DrugBank
Xl 518 ChemIDplus
Xl-518 ChemIDplus
XL518 ChemIDplus
Manual Xrefs Databases
5046 DrugCentral
Cobimetinib Wikipedia
DB05239 DrugBank
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Registry Numbers Types Sources
12883594 Reaxys Registry Number Reaxys
934660-93-2 CAS Registry Number KEGG DRUG
934660-93-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24589925 PubMed citation Europe PMC
25037139 PubMed citation Europe PMC
25142409 PubMed citation Europe PMC
25243894 PubMed citation Europe PMC
25265494 PubMed citation Europe PMC
25444546 PubMed citation Europe PMC
25813936 PubMed citation Europe PMC
26365290 PubMed citation Europe PMC
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Last Modified
22 February 2017