KO-947   Click here for help

GtoPdb Ligand ID: 9976

Synonyms: KO947
Compound class: Synthetic organic
Comment: KO-947 is an ERK1/2 inhibitor that is in early stage clinical development as a potential treatment for advanced solid tumours with RAS/MAPK pathway mutations.
(Note: ERK1= MAPK3, ERK2= MAPK1)

KO-947 is commercially available from our sponsors

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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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 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 73.91
Molecular weight 355.14
XLogP 3.19
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 O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1
Isomeric SMILES O=C1Nc2cc3[nH]nc(c3cc2CN1Cc1ccccc1)c1ccncc1
InChI InChI=1S/C21H17N5O/c27-21-23-18-11-19-17(20(25-24-19)15-6-8-22-9-7-15)10-16(18)13-26(21)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChI Key ODIUJYZERXVGEI-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
Preliminary efficacy of KO-947 is being evaluated in Phase 1 first-in-human dose escalation study NCT03051035, in patients with advanced unresectable or metastatic, relapsed and/or refractory, non-hematological malignancies that have BRAF, KRAS, NRAS or HRAS mutation(s).
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03051035 First-in-Human Study of KO-947 in Non-Hematological Malignancies Phase 1 Interventional Kura Oncology, Inc.