Detailed information for compound 1068897

Basic information

Technical information
  • TDR Targets ID: 1068897
  • Name: N-[(1S)-2-[N'-(4-fluorobenzoyl)hydrazino]-1-m ethyl-2-oxo-ethyl]furan-2-carboxamide
  • MW: 319.288 | Formula: C15H14FN3O4
  • H donors: 3 H acceptors: 3 LogP: 1.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@@H](NC(=O)c1ccco1)C)NNC(=O)c1ccc(cc1)F
  • InChi: 1S/C15H14FN3O4/c1-9(17-15(22)12-3-2-8-23-12)13(20)18-19-14(21)10-4-6-11(16)7-5-10/h2-9H,1H3,(H,17,22)(H,18,20)(H,19,21)/t9-/m0/s1
  • InChiKey: OUMOJDANQHVAPL-VIFPVBQESA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(1S)-2-[N'-[(4-fluorophenyl)-oxomethyl]hydrazino]-1-methyl-2-oxoethyl]-2-furancarboxamide
  • N-[(1S)-2-[N'-(4-fluorobenzoyl)hydrazino]-2-keto-1-methyl-ethyl]-2-furamide
  • N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
  • N-[(2S)-1-[2-(4-fluorophenyl)carbonylhydrazinyl]-1-oxo-propan-2-yl]furan-2-carboxamide
  • T5507026
  • ZINC06778779

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0251 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0104 0.0727
Trypanosoma cruzi cytochrome P450, putative 0.005 0.0162 0.0617
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0162 0.0808
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0459 0.1012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0251 0.0386
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0104 0.0128
Schistosoma mansoni cytochrome P450 0.0031 0.0048 0.004
Echinococcus multilocularis microtubule associated protein 2 0.0741 0.4255 0.7439
Schistosoma mansoni alpha-glucosidase 0.0157 0.0795 0.1808
Schistosoma mansoni alpha-glucosidase 0.0157 0.0795 0.1808
Trichomonas vaginalis set domain proteins, putative 0.0265 0.1436 1
Leishmania major telomerase reverse transcriptase, putative 0.0468 0.2633 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0251 1
Mycobacterium leprae Conserved hypothetical protein 0.0031 0.0048 0.5
Brugia malayi Cytochrome P450 family protein 0.0115 0.0544 0.0712
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0459 0.0753
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0104 0.0128
Leishmania major cytochrome p450-like protein 0.005 0.0162 0.0617
Plasmodium falciparum telomerase reverse transcriptase 0.0468 0.2633 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0031 0.0048 0.0065
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0063 0.0055
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.1246 0.7507
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0166 0.0187
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0063 0.0073
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0166 0.0237
Schistosoma mansoni hypothetical protein 0.0031 0.0048 0.004
Echinococcus granulosus cytochrome P450 2K1 0.0031 0.0048 0.003
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0104 0.0101
Plasmodium vivax telomerase reverse transcriptase, putative 0.0468 0.2633 1
Loa Loa (eye worm) cytochrome P450 0.0031 0.0048 0.0104
Loa Loa (eye worm) hypothetical protein 0.0051 0.0166 0.0832
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0104 0.0727
Trypanosoma cruzi cytochrome P450, putative 0.005 0.0162 0.0617
Echinococcus multilocularis snurportin 1 0.0301 0.1649 0.2849
Brugia malayi Cytochrome P450 family protein 0.005 0.0162 0.0182
Giardia lamblia Telomerase catalytic subunit 0.0468 0.2633 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0063 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0459 0.1012
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0859 0.4953 0.867
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0104 0.0727
Schistosoma mansoni hypothetical protein 0.0051 0.0166 0.0319
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.01 0.0459 0.0594
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0104 0.0396
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0946 0.161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.01 0.0459 0.1012
Schistosoma mansoni hypothetical protein 0.0051 0.0166 0.0319
Echinococcus granulosus GPCR family 2 0.0051 0.0166 0.0237
Onchocerca volvulus 0.0106 0.049 0.043
Trypanosoma brucei telomerase reverse transcriptase 0.0468 0.2633 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0031 0.0048 0.0184
Loa Loa (eye worm) cytochrome P450 family protein 0.0115 0.0544 0.3171
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0104 0.0727
Leishmania major cytochrome p450-like protein 0.0031 0.0048 0.0184
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0166 0.0187
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0104 0.0727
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0251 0.0519
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0468 0.2633 1
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0104 0.0396
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0251 1
Echinococcus multilocularis neuropeptide s receptor 0.0987 0.5708 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0104 0.0396
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0031 0.0048 0.0184
Schistosoma mansoni microtubule-associated protein tau 0.0741 0.4255 1
Echinococcus granulosus microtubule associated protein 2 0.0741 0.4255 0.7439
Brugia malayi cytochrome P450 0.0031 0.0048 0.0023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0251 0.0386
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0251 0.0519
Onchocerca volvulus 0.0265 0.1436 0.1383
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.0818 0.1092
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0063 0.0073
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0031 0.0048 0.0184
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0031 0.0048 0.0065
Brugia malayi RNA, U transporter 1 0.008 0.034 0.0428
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0063 0.0055
Brugia malayi hypothetical protein 0.0129 0.0626 0.0825
Loa Loa (eye worm) hypothetical protein 0.0161 0.0818 0.4862
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0251 0.0842
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0104 0.0727
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0166 0.0237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0459 0.0753
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.0818 0.1092
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0468 0.2633 1
Brugia malayi Cytochrome P450 family protein 0.005 0.0162 0.0182
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0104 0.045
Brugia malayi Pre-SET motif family protein 0.0033 0.0063 0.0043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.01 0.0459 0.0753
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.1649 1
Trypanosoma brucei cytochrome P450, putative 0.005 0.0162 0.0503
Loa Loa (eye worm) hypothetical protein 0.0129 0.0626 0.3674
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.01 0.0459 0.0753
Onchocerca volvulus Huntingtin homolog 0.0129 0.0626 0.0567
Schistosoma mansoni hypothetical protein 0.0051 0.0166 0.0319
Schistosoma mansoni hypothetical protein 0.011 0.0516 0.1148
Trypanosoma brucei glucosidase, putative 0.0041 0.0104 0.028
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0104 0.028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0251 1
Mycobacterium leprae putative cytochrome p450 0.0031 0.0048 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0104 0.0727
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0166 0.0237
Loa Loa (eye worm) hypothetical protein 0.0033 0.0063 0.0191
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0063 0.0073
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.0818 0.4862
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0104 1
Echinococcus multilocularis GPCR, family 2 0.0051 0.0166 0.0237
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0055 0.0042
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0166 0.0832
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.0946 0.127
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.0946 0.161
Loa Loa (eye worm) hypothetical protein 0.0129 0.0626 0.3674
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0946 0.161
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0162 0.0808
Schistosoma mansoni hypothetical protein 0.0051 0.0166 0.0319
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.01 0.0459 0.2643
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0104 0.0727
Plasmodium vivax SET domain protein, putative 0.0033 0.0063 0.0119
Schistosoma mansoni hypothetical protein 0.0301 0.1649 0.3829
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.005 0.0162 0.563
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0251 0.0952
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0031 0.0048 0.0184
Schistosoma mansoni alpha glucosidase 0.0041 0.0104 0.0172
Loa Loa (eye worm) hypothetical protein 0.011 0.0516 0.2997
Echinococcus granulosus snurportin 1 0.0301 0.1649 0.2849
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0104 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.0946 0.5652
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.0516 0.0673
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0104 0.0727
Leishmania major cytochrome p450-like protein 0.0031 0.0048 0.0184
Onchocerca volvulus Huntingtin homolog 0.0129 0.0626 0.0567
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0063 0.0073
Echinococcus multilocularis 0.0031 0.0048 0.003
Echinococcus multilocularis neuropeptide receptor A26 0.0987 0.5708 1
Echinococcus granulosus neuropeptide receptor A26 0.0987 0.5708 1
Brugia malayi Cytochrome P450 family protein 0.0031 0.0048 0.0023
Brugia malayi Pre-SET motif family protein 0.0233 0.1246 0.1686
Echinococcus granulosus neuropeptide s receptor 0.0987 0.5708 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0166 0.0237
Brugia malayi Telomerase reverse transcriptase 0.1244 0.7232 1
Loa Loa (eye worm) CYP4Cod1 0.005 0.0162 0.0808
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0063 0.0119
Toxoplasma gondii RNA-directed DNA polymerase 0.0468 0.2633 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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