GtoPdb is requesting financial support from commercial users. Please see our sustainability page for more information.

zongertinib   Click here for help

GtoPdb Ligand ID: 12387

Synonyms: BI 1810631 | BI-1810631 | BI1810631 | example I-01 [WO2021213800A1] | Hernexeos®
Approved drug
zongertinib is an approved drug
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN zongertinib. It matches a compound claimed in Boehringer Ingelheim patent WO2021213800A1 (example I-01), in which it was tested for inhibitor activity at erb-b2 receptor tyrosine kinase 2 (ERBB2; HER2) [2]. I-01 is claimed to inhibit HER2 with exon 20 mutations, whilst sparing EGFR activity. We were able to match this to clinical lead compound code BI 1810631, which is a covalent /irreversible inhibitor [3].
Click here for help

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

✖

View interactive charts of activity data across species

zongertinib is commercially available from our sponsors

2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
Physico-chemical Properties
Click here for help

Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

✖
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 122.98
Molecular weight 535.24
XLogP 3.52
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES C=CC(=O)NC1CCN(CC1)c1ncc2c(n1)c(ncn2)Nc1ccc(c(c1)C)Oc1ccc2c(c1)ncn2C
Isomeric SMILES Cc1c(ccc(c1)Nc1ncnc2cnc(nc12)N1CCC(CC1)NC(=O)C=C)Oc1cc2c(cc1)n(cn2)C
InChI InChI=1S/C29H29N9O2/c1-4-26(39)34-19-9-11-38(12-10-19)29-30-15-23-27(36-29)28(32-16-31-23)35-20-5-8-25(18(2)13-20)40-21-6-7-24-22(14-21)33-17-37(24)3/h4-8,13-17,19H,1,9-12H2,2-3H3,(H,34,39)(H,31,32,35)
InChI Key YSGNGFPNTLERCR-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
No information available.
Summary of Clinical Use Click here for help
Zongertinib was approved for use in the US in August 2025, to treat unresectable or metastatic non-squamous non-small cell lung cancer (NSCLC) with HER2-activating mutations in the tyrosine kinase domain.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT06581432 Beamion PANTUMOR-1: A Study to Test Whether Zongertinib Helps People With Advanced Cancers With HER2 Alterations Phase 2 Interventional Boehringer Ingelheim
NCT06324357 Beamion BCGC-1: A Study to Find a Suitable Dose of Zongertinib Used Alone and in Combination With Other Treatments to Test Whether it Helps People With Different Types of HER2+ Cancer That Has Spread Phase 1/Phase 2 Interventional Boehringer Ingelheim
NCT06151574 Beamion LUNG-2: A Study to Test Whether Zongertinib (BI 1810631) Helps People With Advanced Non-small Cell Lung Cancer With HER2 Mutations Compared With Standard Treatment Phase 3 Interventional Boehringer Ingelheim