Detailed information for compound 686932

Basic information

Technical information
  • TDR Targets ID: 686932
  • Name: 4-[(2-methylphenyl)amino]-2-(4-methylpiperazi n-1-yl)-4-oxobutanoic acid
  • MW: 305.372 | Formula: C16H23N3O3
  • H donors: 2 H acceptors: 3 LogP: -1.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(C(=O)O)CC(=O)Nc1ccccc1C
  • InChi: 1S/C16H23N3O3/c1-12-5-3-4-6-13(12)17-15(20)11-14(16(21)22)19-9-7-18(2)8-10-19/h3-6,14H,7-11H2,1-2H3,(H,17,20)(H,21,22)
  • InChiKey: FXCIFSPPXCAQMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(2-methylphenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid
  • 4-[(2-methylphenyl)amino]-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid
  • 4-keto-4-[(2-methylphenyl)amino]-2-(4-methylpiperazin-1-yl)butyric acid

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
Brugia malayi Matrixin family protein 0.0062 0.034 0.0833
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0 0.5
Brugia malayi RNA binding protein 0.0132 0.1426 0.3487
Loa Loa (eye worm) hypothetical protein 0.0076 0.0552 0.135
Mycobacterium ulcerans hydrolase 0.0076 0.0552 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0226 0.2897 0.2897
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1426 0.1426
Brugia malayi Matrixin family protein 0.015 0.1716 0.4196
Loa Loa (eye worm) RNA binding protein 0.0132 0.1426 0.3487
Schistosoma mansoni hypothetical protein 0.0067 0.0415 0.0415
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.015 0.015
Loa Loa (eye worm) matrixin family protein 0.0138 0.1522 0.3722
Loa Loa (eye worm) TAR-binding protein 0.0132 0.1426 0.3487
Loa Loa (eye worm) hypothetical protein 0.0062 0.034 0.0833
Loa Loa (eye worm) hypothetical protein 0.0062 0.034 0.0833
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0405 0.7346
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0405 1
Loa Loa (eye worm) matrixin family protein 0.015 0.1716 0.4196
Loa Loa (eye worm) hypothetical protein 0.0062 0.034 0.0833
Echinococcus granulosus tar DNA binding protein 0.0132 0.1426 0.1426
Loa Loa (eye worm) zinc finger protein 0.0302 0.4089 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0076 0.0552 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0899 0.2199
Echinococcus granulosus zinc finger transcription factor gli2 0.0302 0.4089 0.4089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.015 0.015
Onchocerca volvulus 0.0088 0.0746 0.3431
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0042 0.0029 0.0029
Brugia malayi Zinc finger, C2H2 type family protein 0.0302 0.4089 1
Schistosoma mansoni microtubule-associated protein tau 0.0681 1 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1426 0.1426
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0405 0.0405
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0405 0.7346
Loa Loa (eye worm) hypothetical protein 0.0098 0.0899 0.2199
Echinococcus multilocularis geminin 0.0185 0.2259 0.2259
Echinococcus granulosus geminin 0.0185 0.2259 0.2259
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0405 0.7346
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0681 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.015 0.015
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0405 0.0405
Brugia malayi RNA recognition motif domain containing protein 0.0132 0.1426 0.3487
Brugia malayi Matrixin family protein 0.0062 0.034 0.0833
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1426 0.1426
Schistosoma mansoni hypothetical protein 0.0088 0.0746 0.0746
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0076 0.0552 0.135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.015 0.015
Brugia malayi Matrixin family protein 0.0062 0.034 0.0833
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.015 0.0367
Loa Loa (eye worm) matrix metalloproteinase 0.0062 0.034 0.0833
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0415 0.1016
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0899 0.2199
Schistosoma mansoni hypothetical protein 0.0185 0.2259 0.2259
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0226 0.2897 0.2897
Onchocerca volvulus Matrilysin homolog 0.0138 0.1522 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0405 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0405 0.0405
Brugia malayi TAR-binding protein 0.0132 0.1426 0.3487
Loa Loa (eye worm) hypothetical protein 0.0067 0.0415 0.1016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0899 0.2199
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0309 0.4189 1
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1426 0.1426
Brugia malayi Matrixin family protein 0.0062 0.034 0.0833
Schistosoma mansoni hypothetical protein 0.0185 0.2259 0.2259
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0062 0.034 0.034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.015 0.015
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0405 0.0405
Brugia malayi Hemopexin family protein 0.0088 0.0746 0.1824
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.015 0.0367
Schistosoma mansoni tar DNA-binding protein 0.0132 0.1426 0.1426
Echinococcus multilocularis tar DNA binding protein 0.0132 0.1426 0.1426
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.015 0.015
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0076 0.0552 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.015 0.015
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0138 0.1522 1
Echinococcus multilocularis zinc finger transcription factor gli2 0.0302 0.4089 0.4089
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0132 0.1426 0.3487

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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