sunvozertinib   Click here for help

GtoPdb Ligand ID: 11672

Synonyms: DZD-9008 | DZD9008 | Example 52 [WO2019149164A1]
Approved drug
sunvozertinib is an approved drug (China (2023))
Compound class: Synthetic organic
Comment: We obtained the chemical structure for sunvozertinib from WHO Proposed list 125, in which it is described as a tyrosine kinase inhibitor with proposed antineoplastic action. This mapped to PubChem CID 139377809. Sunvozertinib is one of the compounds that are claimed in Dizal (Jiangsu) Pharmaceutical's patent WO2019149164A1 as ERBB/BTK inhibitors [2]. Subsequent information revealed sunvozertinib (DZD9008) as an oral, irreversible inhibitor with selectivity for mutant EGFR [3].
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 9
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 114.88
Molecular weight 583.25
XLogP 4.47
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C=CC(=O)Nc1cc(Nc2nccc(n2)Nc2cc(Cl)c(cc2C(O)(C)C)F)c(cc1N1CC[C@H](C1)N(C)C)OC
Isomeric SMILES Clc1c(cc(c(Nc2nc(ncc2)Nc2c(cc(c(c2)NC(=O)C=C)N2C[C@@H](CC2)N(C)C)OC)c1)C(C)(C)O)F
InChI InChI=1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11819 sunvozertinib
Synonyms Click here for help
DZD-9008 | DZD9008 | Example 52 [WO2019149164A1]
Database Links Click here for help
CAS Registry No. 2370013-12-8 (source: WHO INN record)
GtoPdb PubChem SID 442878698
PubChem CID 139377809
Search Google for chemical match using the InChIKey BTMKEDDEMKKSEF-QGZVFWFLSA-N
Search Google for chemicals with the same backbone BTMKEDDEMKKSEF
Search PubMed clinical trials sunvozertinib
Search PubMed titles sunvozertinib
Search PubMed titles/abstracts sunvozertinib
UniChem Compound Search for chemical match using the InChIKey BTMKEDDEMKKSEF-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey BTMKEDDEMKKSEF-QGZVFWFLSA-N