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CHEBI:231356 - varlitinib

ChEBI IDCHEBI:231356
ChEBI Namevarlitinib
Stars
DefinitionA member of the class of quinazolines that is quinazoline substituted by {3-chloro-4-[(1,3-thiazol-2-yl)methoxy]phenyl}amino and [(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino groups at positions 4 and 6, respectively. It is a tyrosine kinase inhibitor of both ErbB-2 (Her-2/neu) and EGFR and has shown significant anti-tumour activity in preclinical models of human breast, lung, and epidermal carcinoma tumours.
Last Modified24 May 2024
Submitterdelphine
DownloadsMolfile
FormulaC22H19ClN6O2S
Net Charge0
Average Mass466.954
Monoisotopic Mass466.09787
SMILESC[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1
InChIInChI=1S/C22H19ClN6O2S/c1-13-10-31-22(27-13)29-14-2-4-18-16(8-14)21(26-12-25-18)28-15-3-5-19(17(23)9-15)30-11-20-24-6-7-32-20/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,25,26,28)/t13-/m1/s1
InChIKeyUWXSAYUXVSFDBQ-CYBMUJFWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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).
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
varlitinib (CHEBI:231356) has role antineoplastic agent (CHEBI:35610)
varlitinib (CHEBI:231356) has role apoptosis inducer (CHEBI:68495)
varlitinib (CHEBI:231356) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
varlitinib (CHEBI:231356) has role epidermal growth factor receptor antagonist (CHEBI:74440)
varlitinib (CHEBI:231356) is a 1,3-thiazoles (CHEBI:38418)
varlitinib (CHEBI:231356) is a aromatic ether (CHEBI:35618)
varlitinib (CHEBI:231356) is a monochlorobenzenes (CHEBI:83403)
varlitinib (CHEBI:231356) is a oxazoline (CHEBI:38327)
varlitinib (CHEBI:231356) is a quinazoline (CHEBI:36621)
varlitinib (CHEBI:231356) is a secondary amino compound (CHEBI:50995)
varlitinib (CHEBI:231356) is a substituted aniline (CHEBI:48975)
IUPAC Name 
N4-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-N6-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
INNs  Source
varlitinibumWHO MedNet
varlitinibWHO MedNet
varlitinibWHO MedNet
varlitinibWHO MedNet
Synonyms  Source
ARRY 334543SUBMITTER
ARRY-543DrugBank
ARRY-334543DrugBank
AR-00334543DrugBank
AR00334543DrugBank
ASLAN-001DrugBank
Manual XrefsDatabases
DB05944DrugBank
D09689KEGG DRUG
Registry NumbersSources
CAS:845272-21-1KEGG DRUG
Citations