olverembatinib   Click here for help

GtoPdb Ligand ID: 10630

Synonyms: compound 10a [PMID: 23301703] | GZD-824 | GZD824 | HQP-1351 | HQP1351
Approved drug PDB Ligand Immunopharmacology Ligand
olverembatinib is an approved drug (China (2021))
Compound class: Synthetic organic
Comment: Olverembatinib (HQP1351; formerly GZD824) is a novel third-generation, orally bioavailable kinase inhibitor with activity against a broad spectrum of Bcr-Abl mutants including the T315I resistance mutation [3-4]. The chemical structure for GZD824 is identical to that submitted to the WHO for the INN olverembatinib. GZD824's structure and use was first claimed in a patent from the Guangzhou Institute of Biomedicine and Health [5], but it is now being progressed by Ascentage Pharma and HealthQuest Pharma.
SARS-CoV-2: Olverembatinib has been reported to inhibit human PBM cytokine release (in vitro) as induced by the SARS-CoV-2 omicron variant [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 77.15
Molecular weight 532.22
XLogP 5.95
No. Lipinski's rules broken 1
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Canonical SMILES CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2c(c1)cn[nH]2)C
Isomeric SMILES CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2c(c1)cn[nH]2)C
InChI InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2021))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11221 olverembatinib
Synonyms Click here for help
compound 10a [PMID: 23301703] | GZD-824 | GZD824 | HQP-1351 | HQP1351
Database Links Click here for help
CAS Registry No. 1257628-77-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL2316582
GtoPdb PubChem SID 404859077
PubChem CID 51038269
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UniChem Compound Search for chemical match using the InChIKey TZKBVRDEOITLRB-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey TZKBVRDEOITLRB-UHFFFAOYSA-N