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envometinib   Click here for help

GtoPdb Ligand ID: 14073

Synonyms: example 274 [WO2023133472] | IMM-6-415
Compound class: Synthetic organic
Comment: Envometinib is the INN for a MEK inhibitor. It was included in WHO INN proposed list 133 (10th July 2025). Chemical structure match in patent WO2023133472 [1] suggests that this might be Immuneering Corporation's MEK clinical lead IMM-6-415.
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 10
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 125.66
Molecular weight 523
XLogP 0.34
No. Lipinski's rules broken 1

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 CNS(=O)(=O)NC1=C(C(=CC=C1)CC2=C(CN(C)C)C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)Cl
Isomeric SMILES CNS(=O)(=O)NC1=CC=CC(=C1Cl)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)C
InChI InChI=1S/C23H27ClN4O6S/c1-25-35(31,32)26-19-8-6-7-14(21(19)24)11-17-18(13-27(2)3)16-10-9-15(33-23(30)28(4)5)12-20(16)34-22(17)29/h6-10,12,25-26H,11,13H2,1-5H3
InChI Key UNBQMQJVNBHLAP-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/)
References
1. Hall BM, Decorte BL, King PJ, Leenders R, Wegert A, Fowler K, Kolitz S, Doodeman R, Poelakker J, Folmer RHA. (2023)
Mek immune oncology inhibitors and therapeutic uses thereof.
Patent number: WO2023133472A1. Assignee: Immuneering Corporation. Priority date: 05/01/2023. Publication date: 13/07/2022.