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name Structure Reference Source Properties Activities Metabolism

1H-Pyrrole-2,5-dione; N-Et 

AlkaPlorer ID: AK279613

Synonym: 1-Ethyl-1H-pyrrole-2,5-dione, N-Ethylmaleimide 

IUPAC Name: 1-ethylpyrrole-2,5-dione

Structure

SMILES: CCN1C(=O)C=CC1=O

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InChI: InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3

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InChIKey: HDFGOPSGAURCEO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 125.12699999999997

TPSA？: 37.38

MolLogP？: -0.0686999999999999

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus flavus Aspergillus flavus MFC 15.63 ug ml-1 10.1016/j.bmc.2011.03.038
Aspergillus flavus Aspergillus flavus MIC 15.63 ug.mL-1 10.1016/j.bmc.2011.03.038
Aspergillus fumigatus Aspergillus fumigatus MFC 31.25 ug ml-1 10.1016/j.bmc.2011.03.038
Aspergillus fumigatus Aspergillus fumigatus MIC 15.63 ug.mL-1 10.1016/j.bmc.2011.03.038
Aspergillus niger Aspergillus niger MFC 15.63 ug ml-1 10.1016/j.bmc.2011.03.038
Aspergillus niger Aspergillus niger MIC 7.81 ug.mL-1 10.1016/j.bmc.2011.03.038
Bos taurus Serum albumin Activity nan None 10.1016/j.ejmech.2019.111981
Candida albicans Candida albicans MFC 250.0 ug ml-1 10.1016/j.bmc.2011.03.038
Candida albicans Candida albicans MIC 62.5 ug.mL-1 10.1016/j.bmc.2011.03.038
Candida tropicalis Candida tropicalis MFC 125.0 ug ml-1 10.1016/j.bmc.2011.03.038
Candida tropicalis Candida tropicalis MIC 62.5 ug.mL-1 10.1016/j.bmc.2011.03.038
Cryptococcus neoformans Cryptococcus neoformans MFC 31.25 ug ml-1 10.1016/j.bmc.2011.03.038
Cryptococcus neoformans Cryptococcus neoformans MIC 15.63 ug.mL-1 10.1016/j.bmc.2011.03.038
Homo sapiens 14 kDa phosphohistidine phosphatase Ki 209000.0 nM 10.1021/acsmedchemlett.2c00450
Homo sapiens 14 kDa phosphohistidine phosphatase Kinact 7.5 /s 10.1021/acsmedchemlett.2c00450
Homo sapiens 14 kDa phosphohistidine phosphatase Ratio 3.1 /M/s 10.1021/acsmedchemlett.2c00450
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 14125.4 nM None
Homo sapiens Anandamide amidohydrolase Inhibition 35.0 % 10.1021/jm900461w
Homo sapiens Annexin A2 Activity nan None 10.1038/nchembio755
Homo sapiens Annexin A2 Inhibition nan % 10.1038/nchembio755
Homo sapiens Bloom syndrome protein Potency 177827.9 nM None
Homo sapiens Chromobox protein homolog 1 Potency 8436.8 nM None
Homo sapiens Cysteine protease ATG4B Inhibition nan % 10.1016/j.ejmech.2016.07.073
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 199.5 nM None
Homo sapiens Geminin Potency 19952.6 nM None
Homo sapiens Ghrelin O-acyltransferase IC50 433000.0 nM None
Homo sapiens HEK293 Potency 15848.9 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 946.6 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 1000.0 nM None
Homo sapiens Insulin-degrading enzyme Inhibition nan % 10.1016/j.ejmech.2019.06.057
Homo sapiens MCF7 GI50 9.9 ug.mL-1 10.1016/j.bmc.2011.03.038
Homo sapiens Mesoderm-specific transcript homolog protein Inhibition 90.0 % None
Homo sapiens Mesoderm-specific transcript homolog protein Inhibition 94.0 % None
Homo sapiens Mesoderm-specific transcript homolog protein Inhibition 96.0 % None
Homo sapiens Mesoderm-specific transcript homolog protein Inhibition 101.0 % None
Homo sapiens Microtubule-associated protein tau Potency 1584.9 nM None
Homo sapiens Monoamine oxidase B TIME 8.0 hr 10.1016/j.bmc.2009.03.005
Homo sapiens Monoglyceride lipase IC50 16600.0 nM 10.1021/jm900461w
Homo sapiens M-phase phosphoprotein 8 Potency 79432.8 nM None
Homo sapiens NCI-H460 GI50 6.7 ug.mL-1 10.1016/j.bmc.2011.03.038
Homo sapiens Neuropeptide S receptor Potency 5011.9 nM None
Homo sapiens Peripheral myelin protein 22 Potency 42561.5 nM None
Homo sapiens Prelamin-A/C Potency 6309.6 nM None
Homo sapiens Prelamin-A/C Potency 35481.3 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 3768.6 nM None
Homo sapiens Sentrin-specific protease 1 Inhibition nan % 10.1016/j.bmcl.2016.07.051
Homo sapiens Sentrin-specific protease 2 Inhibition nan % 10.1016/j.bmcl.2012.06.084
Homo sapiens SF-268 GI50 6.5 ug.mL-1 10.1016/j.bmc.2011.03.038
Homo sapiens Thrombopoietin Potency 1584.9 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 7 Inhibition nan % 10.1021/acs.jnatprod.7b00184
Lactobacillus casei Thymidylate synthase k2 13.0 M-1 10.1021/jm00361a016
Mus musculus Mus musculus Activity 40.1 mm 10.1016/j.bmcl.2016.10.056
Mus musculus Mus musculus Activity 41.9 mm 10.1016/j.bmcl.2015.04.095
Nannizzia gypsea Nannizzia gypsea MFC 7.81 ug ml-1 10.1016/j.bmc.2011.03.038
Nannizzia gypsea Nannizzia gypsea MIC 7.81 ug.mL-1 10.1016/j.bmc.2011.03.038
Pantoea ananas Lycopene cyclase Activity 83.0 % 10.1584/jpestics.23.113
Plasmodium falciparum Plasmodium falciparum Potency 293.6 nM None
Rattus norvegicus Dopamine transporter IC50 46773.51 nM 10.1021/acs.jmedchem.6b00788
Rattus norvegicus Monoglyceride lipase IC50 53000.0 nM 10.1021/acs.jmedchem.6b00538
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 10621.3 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae MFC 15.63 ug ml-1 10.1016/j.bmc.2011.03.038
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 7.81 ug.mL-1 10.1016/j.bmc.2011.03.038
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.bmcl.2015.04.046
Trichophyton mentagrophytes Trichophyton mentagrophytes MFC 15.63 ug ml-1 10.1016/j.bmc.2011.03.038
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 7.81 ug.mL-1 10.1016/j.bmc.2011.03.038
Trichophyton rubrum Trichophyton rubrum MFC 3.9 ug ml-1 10.1016/j.bmc.2011.03.038
Trichophyton rubrum Trichophyton rubrum MIC 3.9 ug.mL-1 10.1016/j.bmc.2011.03.038
Trypanosoma brucei 6-phospho-1-fructokinase Potency 37933.0 nM None
None ADMET HC50 250.0 ug ml-1 10.1016/j.bmc.2011.03.038
None NON-PROTEIN TARGET IC50 16000.0 nM 10.1021/jm2001663
None NON-PROTEIN TARGET IC50 30000.0 nM 10.1021/jm2001663
None No relevant target Drug metabolism nan None 10.1016/j.ejmech.2017.08.050
None No relevant target Drug metabolism nan None 10.1021/acs.jmedchem.8b00389
None No relevant target K 3750.0 /M/s 10.1021/acs.jmedchem.6b00788
None Unchecked Activity 65.0 % 10.1016/j.bmc.2011.10.024
None Unchecked Activity nan None 10.1016/j.ejmech.2019.111981
None Unchecked EC50 43700.0 nM 10.1016/j.bmc.2011.10.024
None Unchecked IC50 3220.0 nM 10.1021/jm070564e
None Unchecked Inhibition 77.0 % 10.1021/jm00366a026
None Unchecked Inhibition 86.0 % 10.1021/jm00366a026
None Unchecked Inhibition 95.0 % None
None Unchecked Inhibition 107.0 % None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Kd nan None 10.1021/jm501660t
None Unchecked Ki 860000.0 nM 10.1021/jm00091a009
None Unchecked Potency 15848.9 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Ratio IC50 1.97 None 10.1021/jm2001663

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT009626 CCN1C(=O)C=CC1=O>>CCN1C(=O)CCC1=O 35527