revumenib   Click here for help

GtoPdb Ligand ID: 11882

Synonyms: Revuforj® | SNDX-5613 | SNDX5613
Approved drug PDB Ligand
revumenib is an approved drug (FDA (2024))
Compound class: Synthetic organic
Comment: The chemical structure for revumenib was revealed in WHO proposed INN list 126 (Jan 2022), in which it was described as an antineoplastic agent. It resolved to Syndax Pharmaceuticals' SNDX-5613 via a PubChem match on SMILES. SNDX-5613 inhbits the Menin-KMT2A protein-protein interaction (binding directly to menin), as a strategy that was originally proposed to treat acute leukemias that are driven by proleukemogenic KMT2A rearrangements [1].
Additional menin inhibitors in development include bleximenib (JNJ-75276617), ziftomenib (KO-539), emilumenib (DS-1594a), enzomenib (DSP-5336) and icovamenib (BMF-219).

revumenib 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 9
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 116.35
Molecular weight 630.34
XLogP 4.69
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 CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(C1)CCN(CC2)C[C@@H]1CC[C@H](CC1)NS(=O)(=O)CC)C(C)C
Isomeric SMILES C(C)S(=O)(=O)N[C@@H]1CC[C@H](CC1)CN1CCC2(CN(C2)c2ncncc2Oc2c(C(=O)N(C(C)C)CC)cc(cc2)F)CC1
InChI InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-
InChI Key FRVSRBKUQZKTOW-YOCNBXQISA-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. FDA (2024)
International Nonproprietary Names Click here for help
INN number INN
11657 revumenib
Synonyms Click here for help
Revuforj® | SNDX-5613 | SNDX5613
Database Links Click here for help
CAS Registry No. 2169919-21-3 (source: WHO INN list)
ChEMBL Ligand CHEMBL4650827
GtoPdb PubChem SID 461663438
PubChem CID 132212657
RCSB PDB Ligand OQ4
Search Google for chemical match using the InChIKey FRVSRBKUQZKTOW-YOCNBXQISA-N
Search Google for chemicals with the same backbone FRVSRBKUQZKTOW
Search PubMed clinical trials revumenib
Search PubMed titles revumenib
Search PubMed titles/abstracts revumenib
UniChem Compound Search for chemical match using the InChIKey FRVSRBKUQZKTOW-YOCNBXQISA-N
UniChem Connectivity Search for chemical match using the InChIKey FRVSRBKUQZKTOW-YOCNBXQISA-N

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Links are provided in return for sponsorship, used to fund improvements to this database. The sponsorship account is managed and audited by the University of Edinburgh, a charitable body registered in Scotland, SC005336. If you are interested in sponsoring the database, please contact us.

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MedChemExpress
Revumenib (links to external site)
Cat. No. HY-136175