Ziftomenib
PubChem CID
138497449
Structure
Molecular Formula
Synonyms
- ziftomenib
- 2134675-36-6
- KO-539
- UNII-4MOD1F4ENC
- KO539
Molecular Weight
717.9 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2019-07-20
- Modify:2025-01-18
Description
Ziftomenib is an orally bioavailable inhibitor of the menin-mixed lineage leukemia (MLL; myeloid/lymphoid leukemia; KMT2A) fusion protein, with potential antineoplastic activity. Upon oral administration, ziftomenib prevents the interaction between the two proteins menin and MLL, and thus the formation of the menin-MLL complex. This reduces the expression of downstream target genes and results in an inhibition of the proliferation of MLL-rearranged leukemic cells. The menin-MLL complex plays a key role in the survival, growth and proliferation of certain kinds of leukemia cells.
ZIFTOMENIB is a small molecule drug with a maximum clinical trial phase of I (across all indications) and has 3 investigational indications.
Chemical Structure Depiction
4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
BGGALFIXXQOTPY-NRFANRHFSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CC1=C(C=CC2=C1C=C(N2C[C@H](C)N3CCN(CC3)S(=O)(=O)C)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC(=N5)NC)CC(F)(F)F
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C33H42F3N9O2S2
Computed by PubChem 2.1 (PubChem release 2021.05.07)
2134675-36-6
- ziftomenib
- 2134675-36-6
- KO-539
- UNII-4MOD1F4ENC
- KO539
- 4MOD1F4ENC
- Ziftomenib [USAN]
- ZIFTOMENIB [INN]
- 4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile
- Ko 539
- WHO 11651
- compound 151 [US10781218B2]
- Menin-mll interaction inhibitor KO 539
- Menin-Mixed Lineage Leukemia Protein-Protein Interaction Inhibitor KO 539
- compound 151 (US10781218B2)
- (S)-4-Methyl-5-((4-((2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1-(2-(4-(methylsulfonyl)piperazin-1-yl)propyl)-1H-indole-2-carbonitrile
- 1H-Indole-2-carbonitrile, 4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]-1-[(2S)-2-[4-(methylsulfonyl)-1-piperazinyl]propyl]-
- 1H-INDOLE-2-CARBONITRILE, 4-METHYL-5-((4-((2-(METHYLAMINO)-6-(2,2,2-TRIFLUOROETHYL)THIENO(2,3-D)PYRIMIDIN-4-YL)AMINO)-1-PIPERIDINYL)METHYL)-1-((2S)-2-(4-(METHYLSULFONYL)-1-PIPERAZINYL)PROPYL)-
- 4-methyl-5-((4-((2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1-((2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl)indole-2-carbonitrile
- K5O
- KO-539;ziftomenibum
- Ziftomenib [WHO-DD]
- Ziftomenib (USAN/INN)
- Menin-MLL Inhibitor KO-539
- CHEMBL5095038
- KO 539 [WHO-DD]
- SCHEMBL20846943
- GTPL11680
- BGGALFIXXQOTPY-NRFANRHFSA-N
- Menin-KMT2A Inhibitor KO 539
- GLXC-26507
- EX-A5611
- NSC853767
- AKOS040757323
- NSC-853767
- DA-79103
- MS-31220
- HY-132001
- CS-0146342
- D12419
- G18455
- (7S)-8-(methanesulfonyl)-5,7-dimethyl-1(2)-(methylamino)-1-(2,2,2-trifluoroethyl)-2-aza-1(4)-thieno[2,3-d]pyrimidina-5(5,1)-indola-8(1)-piperazina-3(4,1)-piperidinaoctaphane-5(2)-carbonitrile
- 4-Methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]-1-[(2S)-2-[4-(methylsulfonyl)-1-piperazinyl]propyl]-1H-indole-2-carbonitrile
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
717.9 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
5.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
717.28549845 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
717.28549845 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
159 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
49
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1270
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.06.18)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=BGGALFIXXQOTPY-NRFANRHFSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useZiftomenibhttps://www.drugbank.ca/drugs/DB17171
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
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- EU Clinical Trials Register
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- Therapeutic Target Database (TTD)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
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- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 478482757https://pubchem.ncbi.nlm.nih.gov/substance/478482757
CONTENTS