Detailed information for compound 790183

Basic information

Technical information
  • TDR Targets ID: 790183
  • Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-met hoxyphenyl)butanamide
  • MW: 332.354 | Formula: C16H20N4O4
  • H donors: 1 H acceptors: 4 LogP: 1.93 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)CCCn1nc(c(c1C)[N+](=O)[O-])C
  • InChi: 1S/C16H20N4O4/c1-11-16(20(22)23)12(2)19(18-11)10-4-5-15(21)17-13-6-8-14(24-3)9-7-13/h6-9H,4-5,10H2,1-3H3,(H,17,21)
  • InChiKey: IYGGDHDVAPYTKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
  • 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(4-methoxyphenyl)butanamide
  • 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-methoxyphenyl)butyramide
  • EU-0022534

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
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0741 0.1928
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1182 0.0545
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1712 0.1114
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1712 1
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0229 0.0223
Schistosoma mansoni hypothetical protein 0.0015 0.0123 0.0317
Echinococcus granulosus peregrin 0.0031 0.0846 0.2216
Schistosoma mansoni bromodomain containing protein 0.0063 0.2262 0.7989
Echinococcus multilocularis zinc finger protein 0.002 0.0314 0.0762
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0723 0.1879
Echinococcus granulosus zinc finger protein 0.002 0.0314 0.0762
Trichomonas vaginalis set domain proteins, putative 0.0237 1 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.128 0.4467
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1712 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1314 0.0687
Echinococcus multilocularis chromobox protein 1 0.007 0.2547 0.6859
Onchocerca volvulus 0.0031 0.0806 0.007
Loa Loa (eye worm) hypothetical protein 0.0047 0.1532 0.1724
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0201 0.0598
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1712 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1712 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0446 0.1123
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1712 0.4581
Schistosoma mansoni hypothetical protein 0.0029 0.0741 0.2533
Schistosoma mansoni chromobox protein 0.007 0.2547 0.9011
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.3697 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1669 0.1882
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1099 0.3819
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1712 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.1099 0.1226
Brugia malayi PHD-finger family protein 0.0029 0.0741 0.085
Schistosoma mansoni hypothetical protein 0.0021 0.0361 0.117
Brugia malayi Bromodomain containing protein 0.0031 0.0846 0.0971
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0772 0.032
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1712 0.1932
Loa Loa (eye worm) hypothetical protein 0.0038 0.1152 0.1286
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1712 0.1114
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0446 0.1476
Schistosoma mansoni zinc finger protein 0.002 0.0314 0.1001
Loa Loa (eye worm) hypothetical protein 0.0039 0.1182 0.1321
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1043 0.2753
Brugia malayi chromobox protein homolog 3 0.0039 0.1182 0.1356
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1712 0.1114
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0741 0.2533
Brugia malayi CHD4 protein 0.0013 0.0035 0.004
Brugia malayi Bromodomain containing protein 0.0075 0.2784 0.3194
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1532 0.5371
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1182 0.0545
Brugia malayi Pre-SET motif family protein 0.003 0.0772 0.0885
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0772 0.2644
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1314 0.0687
Loa Loa (eye worm) hypothetical protein 0.0041 0.1257 0.1408
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1712 0.4581
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.1532 0.4088
Schistosoma mansoni zinc finger protein 0.0015 0.0123 0.0317
Echinococcus granulosus chromobox protein 1 0.007 0.2547 0.6859
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1712 0.4581
Brugia malayi jmjC domain containing protein 0.0095 0.3697 0.4241
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1712 1
Brugia malayi MAP kinase sur-1 0.0051 0.1712 0.1964
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.2547 0.2893
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1712 0.6018
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1712 0.1114
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0772 0.2013
Brugia malayi PHD-finger family protein 0.0025 0.0552 0.0633
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0201 0.0455
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1099 0.3819
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.125 0.3317
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1712 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1182 0.0477
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.1099 0.2907
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.1014 0.2674
Loa Loa (eye worm) hypothetical protein 0.0071 0.2594 0.2947
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.8718 1
Brugia malayi jmjC domain containing protein 0.0037 0.1099 0.1261
Trypanosoma brucei protein kinase, putative 0.0051 0.1712 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0201 0.0598
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2102 0.5645
Plasmodium vivax SET domain protein, putative 0.003 0.0772 1
Echinococcus granulosus chromobox protein 1 0.007 0.2547 0.6859
Trichomonas vaginalis chromobox protein, putative 0.007 0.2547 0.2008
Echinococcus multilocularis chromobox protein 1 0.007 0.2547 0.6859
Brugia malayi Pre-SET motif family protein 0.0208 0.8718 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.125 0.3317
Loa Loa (eye worm) hypothetical protein 0.0043 0.1342 0.1506
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1314 0.0619
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1043 0.2753
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0741 0.1928
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.3697 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.1532 0.5371
Plasmodium falciparum phd finger protein, putative 0.0029 0.0741 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1712 0.4581
Onchocerca volvulus 0.0041 0.128 0.0583
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2124 0.2407
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1712 1
Trichomonas vaginalis chromobox protein, putative 0.007 0.2547 0.2008
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2102 0.5645
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0201 0.0455
Schistosoma mansoni jumonji domain containing protein 0.0076 0.2823 1
Echinococcus multilocularis peregrin 0.0031 0.0846 0.2216
Brugia malayi Heterochromatin protein 1 0.007 0.2547 0.2921
Loa Loa (eye worm) hypothetical protein 0.0031 0.0806 0.0888
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1712 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0741 0.0813
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.1532 0.4088
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0446 0.1123
Brugia malayi Bromodomain containing protein 0.0038 0.1148 0.1317
Loa Loa (eye worm) hypothetical protein 0.0029 0.0741 0.0813
Schistosoma mansoni chromobox protein 0.007 0.2547 0.9011
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0361 0.0376

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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