Detailed information for compound 844759

Basic information

Technical information
  • TDR Targets ID: 844759
  • Name: N-butan-2-yl-2-[2-(2-methylbenzoyl)pyrrol-1-y l]acetamide
  • MW: 298.379 | Formula: C18H22N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)Cn1cccc1C(=O)c1ccccc1C)C
  • InChi: 1S/C18H22N2O2/c1-4-14(3)19-17(21)12-20-11-7-10-16(20)18(22)15-9-6-5-8-13(15)2/h5-11,14H,4,12H2,1-3H3,(H,19,21)
  • InChiKey: VESJDYDHJKPVJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-sec-butyl-acetamide
  • 2-[2-[(2-methylphenyl)-oxomethyl]-1-pyrrolyl]-N-sec-butylacetamide
  • N-butan-2-yl-2-[2-(2-methylphenyl)carbonylpyrrol-1-yl]ethanamide

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
Loa Loa (eye worm) ShTK domain-containing protein 0.0188 0.1037 0.5922
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0066 0.0049
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0066 0.1389
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.0642 0.0692
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0038 0.0106
Schistosoma mansoni tyrosinase precursor 0.0188 0.1037 0.69
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0141 0.5609
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0024 0.1009
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0575 0.0618
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0838
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Schistosoma mansoni DNA helicase recq1 0.0009 0.0024 0.0046
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0024 0.0309
Treponema pallidum NADH oxidase 0.0016 0.0066 0.5
Brugia malayi Thioredoxin reductase 0.0047 0.0238 0.1494
Loa Loa (eye worm) O-methyltransferase 0.0185 0.1016 0.5799
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0079 0.2583
Loa Loa (eye worm) hypothetical protein 0.0017 0.007 0.0305
Schistosoma mansoni DNA helicase recq5 0.0009 0.0024 0.0046
Brugia malayi Pre-SET motif family protein 0.0029 0.0141 0.0838
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0024 0.0309
Schistosoma mansoni o-methyltransferase 0.0185 0.1016 0.6757
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0838
Toxoplasma gondii thioredoxin reductase 0.0047 0.0238 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0575 0.0618
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.0642 0.0692
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0024 0.0309
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0066 0.1969
Brugia malayi Sulfatase family protein 0.0008 0.0023 0.0038
Schistosoma mansoni o-methyltransferase 0.0185 0.1016 0.6757
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0141 0.0838
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0575 0.0618
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0024 0.004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0066 0.0043
Loa Loa (eye worm) glutaminase 0.027 0.1495 0.8583
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0188 0.1037 0.69
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0066 0.0043
Onchocerca volvulus 0.0185 0.1016 0.7832
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0066 0.1969
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0066 0.278
Loa Loa (eye worm) hypothetical protein 0.0188 0.1037 0.5922
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0135 0.5333
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0066 0.1389
Loa Loa (eye worm) ShTK domain-containing protein 0.0188 0.1037 0.5922
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0141 0.5926
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0024 0.1009
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0094 0.0482
Mycobacterium tuberculosis Probable reductase 0.0106 0.0575 0.0618
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0066 0.0295
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0185 0.1016 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0066 0.1389
Loa Loa (eye worm) hypothetical protein 0.0009 0.0024 0.004
Onchocerca volvulus GPI ethanolamine phosphate transferase 1 homolog 0.0008 0.0023 0.0044
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0066 0.0596
Brugia malayi hypothetical protein 0.0008 0.0023 0.0038
Brugia malayi Pre-SET motif family protein 0.0205 0.1132 0.7545
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0066 0.0331
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0066 0.1389
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0066 0.1389
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0575 0.0618
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0024 0.0309
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0141 0.0838
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0066 0.1389
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0024 0.0046
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0238 0.0241
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0094 0.3465
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.1132 0.6476
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0069 0.0349
Plasmodium vivax SET domain protein, putative 0.0029 0.0141 0.4694
Plasmodium falciparum thioredoxin reductase 0.0016 0.0066 0.1969
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0066 0.1389
Schistosoma mansoni tyrosinase precursor 0.0188 0.1037 0.69
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0066 0.1389
Onchocerca volvulus 0.0188 0.1037 0.7998
Loa Loa (eye worm) hypothetical protein 0.0185 0.1016 0.5799
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0066 0.1389
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0188 0.1037 0.69
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Onchocerca volvulus 0.0234 0.1292 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0066 0.0596
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0042 0.0168
Loa Loa (eye worm) hypothetical protein 0.0008 0.0023 0.0032
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Plasmodium falciparum thioredoxin reductase 0.0047 0.0238 1
Trichomonas vaginalis glutaminase, putative 0.027 0.1495 1
Loa Loa (eye worm) glutaminase 2 0.027 0.1495 0.8583
Loa Loa (eye worm) hypothetical protein 0.0313 0.1739 1
Brugia malayi O-methyltransferase family protein 0.0185 0.1016 0.6757
Schistosoma mansoni glutaminase 0.027 0.1495 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.0094 0.0444
Brugia malayi ShTK domain containing protein 0.0188 0.1037 0.69
Brugia malayi O-methyltransferase 0.0185 0.1016 0.6757
Schistosoma mansoni o-methyltransferase 0.0185 0.1016 0.6757
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0094 0.0482
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0238 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Plasmodium falciparum glutathione reductase 0.0047 0.0238 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.0094 0.3465
Brugia malayi glutaminase DH11.1 0.027 0.1495 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0185 0.1016 1
Brugia malayi O-methyltransferase family protein 0.0185 0.1016 0.6757
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0188 0.1037 0.69
Loa Loa (eye worm) tyrosinase 1 0.0188 0.1037 0.5922
Trichomonas vaginalis set domain proteins, putative 0.0234 0.1292 0.8622
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0038 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0141 0.0719
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.0642 0.1518
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0054 0.2282
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0094 0.0518
Onchocerca volvulus 0.0188 0.1037 0.7998
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0066 0.0331
Plasmodium falciparum glutathione reductase 0.0016 0.0066 0.1969
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0066 0.2218
Onchocerca volvulus 0.0188 0.1037 0.7998
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0575 0.0618
Trypanosoma brucei trypanothione reductase 0.0047 0.0238 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0238 1
Brugia malayi glutathione reductase 0.0047 0.0238 0.1494
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0238 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0066 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0024 0.0289
Mycobacterium ulcerans glutaminase 0.027 0.1495 0.1475
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0042 0.0168
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0066 0.0295
Loa Loa (eye worm) hypothetical protein 0.0188 0.1037 0.5922
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0188 0.1037 0.69
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0024 0.0046
Onchocerca volvulus 0.0185 0.1016 0.7832
Brugia malayi O-methyltransferase family protein 0.0185 0.1016 0.6757
Leishmania major trypanothione reductase 0.0047 0.0238 1
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.1594 0.896 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0238 1
Brugia malayi hypothetical protein 0.012 0.0652 0.4295
Brugia malayi Common central domain of tyrosinase family protein 0.0188 0.1037 0.69
Loa Loa (eye worm) hypothetical protein 0.0008 0.0023 0.0032
Onchocerca volvulus 0.0188 0.1037 0.7998
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0238 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.0642 0.0692
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0238 0.1282
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0141 0.5609
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0066 0.0043
Mycobacterium ulcerans methyltransferase 0.0185 0.1016 0.0995
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0141 0.5609
Schistosoma mansoni o-methyltransferase 0.0185 0.1016 0.6757
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Mycobacterium tuberculosis Probable methyltransferase 0.0185 0.1016 0.1111
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0066 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0066 0.1389
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0066 0.2218
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0066 0.278
Onchocerca volvulus 0.0029 0.0141 0.0971
Loa Loa (eye worm) glutathione reductase 0.0047 0.0238 0.1282

Activities

No activities found for this compound.

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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