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

dordaviprone   Click here for help

GtoPdb Ligand ID: 9978

Synonyms: Modeyso® | ONC-201 | ONC201 | TIC-10 | TIC10
Approved drug Immunopharmacology Ligand
dordaviprone is an approved drug
Compound class: Synthetic organic
Comment: Dordaviprone (ONC201, also known as TIC10 [2]) was originally discovered as a TRAIL pathway inducer and as an orally active dual Akt/ERK inhibitor [1]. It exerts potent anti-tumour effects [6,10-11].

ONC201 was later reported as an allosteric activator of the oncology drug target, mitochondrial protease caseinolytic protease P (ClpP) [4-5,9]. It also antagonises dopamine D2/3 receptor signalling [7-8].
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 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 42.53
Molecular weight 386.21
XLogP 5.24
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
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 Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1
Isomeric SMILES Cc1ccccc1Cn1c(=O)c2CN(CCc2n2c1=NCC2)Cc1ccccc1
InChI InChI=1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-23(29)21-17-26(15-19-8-3-2-4-9-19)13-11-22(21)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
InChI Key VLULRUCCHYVXOH-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/)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes. US FDA (2025)
International Nonproprietary Names Click here for help
INN number INN
12147 dordaviprone
Synonyms Click here for help
Modeyso® | ONC-201 | ONC201 | TIC-10 | TIC10
Database Links Click here for help
BindingDB Ligand 50606048
CAS Registry No. 1616632-77-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL4297310
DrugBank Ligand DB14844
GtoPdb PubChem SID 374883865
PubChem CID 73777259
Search Google for chemical match using the InChIKey VLULRUCCHYVXOH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VLULRUCCHYVXOH
Search PubMed clinical trials dordaviprone
Search PubMed titles dordaviprone
Search PubMed titles/abstracts dordaviprone
UniChem Compound Search for chemical match using the InChIKey VLULRUCCHYVXOH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VLULRUCCHYVXOH-UHFFFAOYSA-N