Detailed information for compound 610105

Basic information

Technical information
  • TDR Targets ID: 610105
  • Name: 4-[(4-dimethylaminophenyl)amino]-2-(4-methylp iperazin-1-yl)-4-oxobutanoic acid
  • MW: 334.413 | Formula: C17H26N4O3
  • H donors: 2 H acceptors: 3 LogP: -1.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(C(=O)O)CC(=O)Nc1ccc(cc1)N(C)C
  • InChi: 1S/C17H26N4O3/c1-19(2)14-6-4-13(5-7-14)18-16(22)12-15(17(23)24)21-10-8-20(3)9-11-21/h4-7,15H,8-12H2,1-3H3,(H,18,22)(H,23,24)
  • InChiKey: SEVDQMYFTYVFLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-dimethylaminophenyl)amino]-2-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid
  • 4-[(4-dimethylaminophenyl)amino]-2-(4-methyl-1-piperazinyl)-4-oxobutanoic acid
  • 4-[(4-dimethylaminophenyl)amino]-4-keto-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
Schistosoma mansoni hypothetical protein 0.0096 0.0904 0.0882
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.0002
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0186 0.0163
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0038 0.0337
Onchocerca volvulus 0.049 0.6558 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.028 0.0406
Echinococcus multilocularis geminin 0.0174 0.202 0.2001
Echinococcus granulosus tumor protein p63 0.0707 0.9682 0.9682
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.1348 0.1328
Echinococcus granulosus histone acetyltransferase MYST2 0.0052 0.0278 0.0255
Schistosoma mansoni tar DNA-binding protein 0.0261 0.327 0.3254
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0411 0.0388
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0161 0.0138
Brugia malayi RNA recognition motif domain containing protein 0.0261 0.327 0.52
Onchocerca volvulus 0.0096 0.0904 0.1345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0411 0.0388
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0038 1
Echinococcus granulosus survival motor neuron protein 1 0.0471 0.6289 0.628
Brugia malayi TAR-binding protein 0.0261 0.327 0.52
Schistosoma mansoni hypothetical protein 0.0174 0.202 0.2001
Loa Loa (eye worm) inositol-1 0.0036 0.0038 0.0021
Loa Loa (eye worm) hypothetical protein 0.0051 0.0261 0.0377
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0038 0.002
Echinococcus multilocularis histone acetyltransferase MYST2 0.0052 0.0278 0.0255
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0161 0.0256
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0052 0.0278 0.0255
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.0904 0.1437
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.028 0.0445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0161 0.0138
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0038 0.002
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0038 0.0015
Loa Loa (eye worm) hypothetical protein 0.0062 0.0411 0.0615
Echinococcus multilocularis tar DNA binding protein 0.0261 0.327 0.3254
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0411 0.0388
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0186 0.0163
Loa Loa (eye worm) hypothetical protein 0.0103 0.1011 0.1574
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0411 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.028 0.0445
Brugia malayi hypothetical protein 0.0035 0.0023 0.0037
Mycobacterium leprae Probable lipase LipE 0.0035 0.0025 0.5
Echinococcus multilocularis tumor protein p63 0.0707 0.9682 0.9682
Schistosoma mansoni tar DNA-binding protein 0.0261 0.327 0.3254
Loa Loa (eye worm) TAR-binding protein 0.0261 0.327 0.518
Loa Loa (eye worm) RNA binding protein 0.0261 0.327 0.518
Brugia malayi Pre-SET motif family protein 0.043 0.5704 0.9071
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0038 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0261 0.327 0.3254
Echinococcus multilocularis survival motor neuron protein 1 0.0471 0.6289 0.628
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0261 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0052 0.0278 0.0255
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0038 0.002
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0261 1
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0186 0.0163
Echinococcus granulosus tar DNA binding protein 0.0261 0.327 0.3254
Brugia malayi mbt repeat family protein 0.0046 0.0186 0.0296
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.004
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0186 0.0163
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0261 0.327 0.518
Loa Loa (eye worm) hypothetical protein 0.0052 0.0278 0.0403
Loa Loa (eye worm) hypothetical protein 0.0046 0.0186 0.0257
Plasmodium vivax SET domain protein, putative 0.0062 0.0411 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0025 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.1348 0.1328
Schistosoma mansoni tar DNA-binding protein 0.0261 0.327 0.3254
Schistosoma mansoni hypothetical protein 0.0036 0.0041 0.0017
Echinococcus multilocularis microtubule associated protein 2 0.0729 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0161 0.0216
Brugia malayi Pre-SET motif family protein 0.0062 0.0411 0.0653
Trichomonas vaginalis set domain proteins, putative 0.049 0.6558 1
Schistosoma mansoni thyroid hormone receptor 0.0137 0.1495 0.1475
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0161 0.0138
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0052 0.0278 0.0442
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0411 0.0388
Schistosoma mansoni hypothetical protein 0.0284 0.3602 0.3587
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0038 0.055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0161 0.0138
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0038 0.055
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0186 0.0163
Schistosoma mansoni inositol monophosphatase 0.0036 0.0038 0.0015
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0041 0.0065
Schistosoma mansoni thyroid hormone receptor 0.0137 0.1495 0.1475
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0186 0.0257
Schistosoma mansoni hypothetical protein 0.0127 0.1348 0.1328
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0261 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0185 0.2186 0.2168
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.043 0.5704 0.9067
Schistosoma mansoni microtubule-associated protein tau 0.0729 1 1
Brugia malayi Inositol-1 0.0036 0.0038 0.0061
Loa Loa (eye worm) hypothetical protein 0.0036 0.0041 0.0024
Onchocerca volvulus 0.0062 0.0411 0.059
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0025 0.0002
Onchocerca volvulus 0.0046 0.0186 0.0246
Schistosoma mansoni hypothetical protein 0.0174 0.202 0.2001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0025 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0261 0.5
Brugia malayi hypothetical protein 0.0471 0.6289 1
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0186 0.0163
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.2727 1
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0261 0.6123
Schistosoma mansoni survival motor neuron protein 0.0096 0.0904 0.0882
Leishmania major hypothetical protein, conserved 0.0051 0.0261 1
Brugia malayi beta-lactamase 0.0035 0.0025 0.004
Loa Loa (eye worm) hypothetical protein 0.0471 0.6289 1
Brugia malayi mbt repeat family protein 0.0046 0.0186 0.0296
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0038 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0411 0.0388
Schistosoma mansoni cellular tumor antigen P53 0.0103 0.1011 0.099
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0186 0.0163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0161 0.0138
Brugia malayi RNA binding protein 0.0261 0.327 0.52
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0038 0.5
Echinococcus granulosus geminin 0.0174 0.202 0.2001
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0378 0.0355
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0261 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0038 0.055
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0411 0.0388
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0161 0.0138
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0261 0.6123
Loa Loa (eye worm) MBCTL1 0.0052 0.0278 0.0403
Schistosoma mansoni tar DNA-binding protein 0.0261 0.327 0.3254
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0411 0.0388
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0186 0.0246
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0161 0.0138
Brugia malayi hypothetical protein 0.0051 0.0261 0.0415
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0025 0.004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.028 0.0406
Schistosoma mansoni inositol monophosphatase 0.0036 0.0038 0.0015
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0038 0.055
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.1495 0.1475
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0025 0.0002
Schistosoma mansoni myelin transcription factor 1 myt1 0.0052 0.0278 0.0255
Brugia malayi beta-lactamase family protein 0.0035 0.0025 0.004
Onchocerca volvulus 0.0103 0.1011 0.1509
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0185 0.2186 0.2168

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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