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CHEBI:231356 - varlitinib

Default Structure
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).
epidermal growth factor receptor antagonist  An antagonist at the epidermal growth factor receptor.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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
varlitinibWHO MedNet
varlitinibWHO MedNet
varlitinibWHO MedNet
varlitinibumWHO MedNet
Synonyms  Source
AR-00334543DrugBank
AR00334543DrugBank
ARRY 334543SUBMITTER
ARRY-334543DrugBank
ARRY-543DrugBank
ASLAN-001DrugBank
Manual XrefsDatabases
D09689KEGG DRUG
DB05944DrugBank
Registry NumbersSources
CAS:845272-21-1KEGG DRUG
Citations