varlitinib   Click here for help

GtoPdb Ligand ID: 7645

Synonyms: ARRY-334543 | ARRY334543
Compound class: Synthetic organic
Comment: Varlitinib selectively and reversibly binds to both EGFR and HER2 and prevents their phosphorylation and activation, and is being investigated for the treatment of some types of cancer. Some bioactivity data may be linked to the tosylate salt (PubChem CID 56842258).
This clinical candidate has completed Phase II clinical trials. Click here to view varlitinib trials registered with ClinicalTrials.gov.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 121.79
Molecular weight 466.1
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1
Isomeric SMILES C[C@@H]1COC(=N1)Nc1ccc2c(c1)c(ncn2)Nc1ccc(c(c1)Cl)OCc1nccs1
InChI InChI=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
InChI Key UWXSAYUXVSFDBQ-CYBMUJFWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-N-[3-chloro-4-(1,3-thiazol-2-ylmethoxy)phenyl]-6-N-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]quinazoline-4,6-diamine
International Nonproprietary Names Click here for help
INN number INN
9187 varlitinib
Synonyms Click here for help
ARRY-334543 | ARRY334543
Database Links Click here for help
CAS Registry No. 845272-21-1 (source: Scifinder)
ChEMBL Ligand CHEMBL2103842
GtoPdb PubChem SID 223365980
PubChem CID 42642648
Search Google for chemical match using the InChIKey UWXSAYUXVSFDBQ-CYBMUJFWSA-N
Search Google for chemicals with the same backbone UWXSAYUXVSFDBQ
Search PubMed clinical trials varlitinib
Search PubMed titles varlitinib
Search PubMed titles/abstracts varlitinib
UniChem Compound Search for chemical match using the InChIKey UWXSAYUXVSFDBQ-CYBMUJFWSA-N
UniChem Connectivity Search for chemical match using the InChIKey UWXSAYUXVSFDBQ-CYBMUJFWSA-N