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sevabertinib   Click here for help

GtoPdb Ligand ID: 13491

Synonyms: BAY 2927088 | BAY-2927088 | BAY2927088 | Example 2 [WO2020216781]
Compound class: Synthetic organic
Comment: Sevabertinib is the INN for an epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor with antineoplastic potential. The chemical structure was obtained from WHO proposed INN list 131 (August 2024). It is one of the compounds claimed in patent WO2020216781A1 [1]. Bayer are one of the patent assignees, and they have an EGFR/ERBB2 inhibitor in early clinical development (BAY 2927088), with online resources confirming the INN-company code association.
In September 2025, the FDA issued Priority Review to expedite sevabertinib's route to clinical approval.
2D Structure
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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.

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Click here for structure editor
Physico-chemical Properties
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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.

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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 102.44
Molecular weight 484.93
XLogP 0.97
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
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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/)

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Canonical SMILES COC1=C(C=CC=C1Cl)NC2=C(C3=C(C=NC=C3)OC[C@]4([H])COCCO4)NC5=C2C(=O)NCC5
Isomeric SMILES [H][C@@]1(COC2=CN=CC=C2C3=C(NC4=CC=CC(Cl)=C4OC)C5=C(CCNC5=O)N3)COCCO1
InChI InChI=1S/C24H25ClN4O5/c1-31-23-16(25)3-2-4-18(23)29-22-20-17(6-8-27-24(20)30)28-21(22)15-5-7-26-11-19(15)34-13-14-12-32-9-10-33-14/h2-5,7,11,14,28-29H,6,8-10,12-13H2,1H3,(H,27,30)/t14-/m0/s1
InChI Key VYQVHWNNPKOJEA-AWEZNQCLSA-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/)
References
1. Siegel S, Siegel F, Schulze V, Berger M, Graham K, Sülzle D, Bömer U, Korr D, Schröder J, Mönning U et al.. (2020)
4h-pyrrolo[3,2-c]pyridin-4-one compounds.
Patent number: WO2020216781A1. Assignee: Bayer Aktiengesellschaft, The Broad Institute, Inc., Dana-Farber Cancer Institute, Inc.. Priority date: 22/04/2020. Publication date: 29/10/2020.