Detailed information for compound 1490111

Basic information

Technical information
  • TDR Targets ID: 1490111
  • Name: 1-(3-chlorophenyl)-4-(2-nitrophenyl)piperazin e
  • MW: 317.77 | Formula: C16H16ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 4.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C16H16ClN3O2/c17-13-4-3-5-14(12-13)18-8-10-19(11-9-18)15-6-1-2-7-16(15)20(21)22/h1-7,12H,8-11H2
  • InChiKey: LYRGPXKBHXHEEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC04905742

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 calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Loa Loa (eye worm) hypothetical protein 0.0046 0.0713 0.1008
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Loa Loa (eye worm) hypothetical protein 0.0032 0.0371 0.0509
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Entamoeba histolytica protein kinase, putative 0.0033 0.0389 0.1281
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0462 0.1678
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.003 0.0341 0.1297
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0036 0.0462 0.0484
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.039 0.0368
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0389 0.1281
Schistosoma mansoni glucose transport protein 0.0102 0.2049 0.5076
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.1153
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Loa Loa (eye worm) hypothetical protein 0.0033 0.0389 0.0535
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0019 0.0072 0.4401
Schistosoma mansoni glucose transport protein 0.0102 0.2049 0.5076
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.039 0.0368
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0046 0.0713 0.1008
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0163 1
Plasmodium falciparum lysine--tRNA ligase 0.0023 0.0154 0.0131
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1994 0.9717
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.003 0.0341 0.1019
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Echinococcus multilocularis integrin alpha ps 0.0066 0.1199 0.2161
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Loa Loa (eye worm) hypothetical protein 0.003 0.0341 0.0465
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1994 1
Entamoeba histolytica protein kinase, putative 0.0033 0.0389 0.1281
Plasmodium falciparum glycogen synthase kinase 3 0.0099 0.1994 0.1976
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0019 0.0072 0.4401
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.1741
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0099 0.1994 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0023 0.0154 0.3046
Plasmodium vivax lysine--tRNA ligase, putative 0.0023 0.0154 0.0131
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0163 0.0013
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.039 0.0368
Leishmania major glucose transporter, lmgt2 0.0032 0.0366 0.1153
Echinococcus multilocularis dual specificity 0.0055 0.0939 0.1623
Trypanosoma cruzi hexose transporter 0.0032 0.0366 0.1741
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0048
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0342
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.039 0.0368
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.003 0.0341 0.0387
Echinococcus granulosus integrin alpha ps 0.0032 0.0371 0.045
Brugia malayi Kelch motif family protein 0.0046 0.0713 0.0832
Echinococcus granulosus integrin alpha 3 0.0113 0.2329 0.4495
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0055 0.0939 0.1337
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0055 0.0939 0.1168
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0163 0.0048
Schistosoma mansoni protein kinase 0.0033 0.0389 0.0631
Plasmodium vivax glycogen synthase kinase 3, putative 0.0099 0.1994 0.1976
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0191
Loa Loa (eye worm) sugar transporter 0.0102 0.2049 0.2957
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0023 0.0154 0.9363
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1994 0.2876
Echinococcus granulosus General substrate transporter 0.0087 0.1706 0.3209
Echinococcus multilocularis dual specificity 0.0055 0.0939 0.1623
Plasmodium falciparum mitogen-activated protein kinase 2 0.0166 0.3586 0.3571
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0023 0.0154 0.0665
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Giardia lamblia Prolyl-tRNA synthetase 0.003 0.0341 0.1019
Plasmodium vivax CDK-related protein kinase 6, putative 0.0433 1 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.039 0.0368
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.039 0.0368
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.039 0.037
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0389 0.0487
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.039 0.037
Schistosoma mansoni hypothetical protein 0.0102 0.2049 0.5076
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0166 0.3586 0.5376
Mycobacterium ulcerans hypothetical protein 0.0023 0.0163 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0163 0.0048
Loa Loa (eye worm) integrin alpha pat-2 0.0228 0.5078 0.7377
Loa Loa (eye worm) hypothetical protein 0.003 0.0341 0.0465
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0099 0.1994 1
Leishmania major glucose transporter, lmgt3 0.0032 0.0366 0.1153
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0099 0.1994 0.3803
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0023 0.139
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.039 0.0368
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Trypanosoma brucei glucose transporter 2A 0.0032 0.0366 0.1153
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.003 0.0341 0.0502
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.1153
Leishmania major protein kinase, putative 0.0033 0.0389 0.1281
Echinococcus multilocularis integrin alpha 3 0.0113 0.2329 0.4495
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0048
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Echinococcus multilocularis protein kinase shaggy 0.0099 0.1994 0.3803
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Trypanosoma brucei protein kinase, putative 0.0099 0.1994 1
Echinococcus granulosus dual specificity 0.0055 0.0939 0.1623
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0462 0.2231
Onchocerca volvulus 0.0099 0.1994 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Brugia malayi intracellular kinase 0.0099 0.1994 0.2738
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.2049 1
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0055 0.0939 0.4648
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1994 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0099 0.1994 0.2883
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0048
Trypanosoma brucei glucose transporter 1E 0.0032 0.0366 0.1153
Entamoeba histolytica protein kinase, putative 0.0099 0.1994 1
Schistosoma mansoni protein kinase 0.0033 0.0389 0.0631
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0112 0.2293 0.3182
Toxoplasma gondii protein kinase, putative 0.0288 0.6537 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0102 0.2049 0.297
Echinococcus granulosus calcium dependent protein kinase 0.0029 0.031 0.0323
Entamoeba histolytica protein kinase domain containing protein 0.0055 0.0939 0.4267
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Trichomonas vaginalis sugar transporter, putative 0.0032 0.0366 0.1423
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0389 0.0631
Echinococcus granulosus dual specificity 0.0055 0.0939 0.1623
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.003 0.0341 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0032 0.0366 0.1153
Echinococcus multilocularis integrin beta 2 0.0224 0.4992 1
Giardia lamblia Kinase, CMGC GSK 0.0099 0.1994 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.2293 0.3312
Schistosoma mansoni integrin alpha-ps 0.0034 0.0437 0.0759
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0036 0.0462 0.2231
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0389 0.0487
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0099 0.1994 0.4928
Schistosoma mansoni glucose transport protein 0.0102 0.2049 0.5076
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0389 0.0535
Echinococcus multilocularis General substrate transporter 0.0087 0.1706 0.3209
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0462 0.1678
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0389 0.1543
Loa Loa (eye worm) hypothetical protein 0.0034 0.0437 0.0605
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0055 0.0939 0.4267
Schistosoma mansoni protein kinase 0.0033 0.0389 0.0631
Echinococcus multilocularis integrin alpha ps 0.0066 0.1199 0.2161
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0389 0.0351
Plasmodium falciparum hexose transporter 0.0102 0.2049 0.2031
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.1741
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Echinococcus multilocularis calcium dependent protein kinase 0.0029 0.031 0.0323
Plasmodium falciparum proline--tRNA ligase 0.0036 0.0462 0.0441
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0163 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Brugia malayi hypothetical protein 0.0046 0.0713 0.0832
Trypanosoma brucei THT1 - hexose transporter, putative 0.0032 0.0366 0.1153
Schistosoma mansoni hypothetical protein 0.0032 0.0371 0.0583
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0055 0.0939 0.123
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0163 0.0048
Brugia malayi Sugar transporter family protein 0.0102 0.2049 0.282
Schistosoma mansoni integrin alpha-ps 0.0066 0.1199 0.28
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0389 0.0535
Brugia malayi Integrin alpha pat-2 precursor 0.0148 0.3157 0.4467
Trypanosoma cruzi hexose transporter, putative 0.0032 0.0366 0.1741
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0163 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0366 0.1423
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0102 0.2049 0.3918
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.039 0.0368
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.039 0.037
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Loa Loa (eye worm) hypothetical protein 0.0023 0.0163 0.0204
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0099 0.1994 0.3803
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0166 0.3586 0.3571
Echinococcus granulosus integrin alpha ps 0.0066 0.1199 0.2161
Loa Loa (eye worm) hypothetical protein 0.0025 0.0204 0.0264
Schistosoma mansoni integrin beta subunit 0.0178 0.3888 1
Plasmodium vivax hexose transporter 0.0102 0.2049 0.2031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0163 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Trichomonas vaginalis glucose transporter, putative 0.0032 0.0366 0.1423
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Echinococcus granulosus integrin beta 2 0.0224 0.4992 1
Brugia malayi Integrin beta pat-3 precursor 0.0303 0.6876 1
Entamoeba histolytica protein kinase domain containing protein 0.0099 0.1994 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0099 0.1994 0.2876
Chlamydia trachomatis lysine--tRNA ligase 0.0023 0.0154 1
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.1994 0.9717
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0163 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0102 0.2049 0.3918
Plasmodium falciparum protein kinase 7 0.0288 0.6537 0.6529
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0939 0.2102
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0036 0.0462 0.1678
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0163 1
Loa Loa (eye worm) integrin beta-2 0.0303 0.6876 1
Giardia lamblia Kinase, CMGC DYRK 0.0055 0.0939 0.4267
Entamoeba histolytica protein kinase, putative 0.0055 0.0939 0.4267
Schistosoma mansoni integrin alpha 0.0148 0.3157 0.8042
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0939 0.4342
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Leishmania major glucose transporter, lmgt1 0.0032 0.0366 0.1153
Brugia malayi Cam kinase protein 1 0.0033 0.0389 0.0351
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Echinococcus granulosus dual specificity 0.0055 0.0939 0.1623
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0163 1
Echinococcus granulosus protein kinase shaggy 0.0099 0.1994 0.3803
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0055 0.0939 0.4267
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.039 0.0368
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0163 0.3377
Echinococcus multilocularis dual specificity 0.0055 0.0939 0.1623
Loa Loa (eye worm) hypothetical protein 0.0116 0.2394 0.3461
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.003 0.0341 0.0279
Echinococcus multilocularis integrin alpha ps 0.0032 0.0371 0.045
Trypanosoma brucei glucose transporter, putative 0.0032 0.0366 0.1153
Loa Loa (eye worm) hypothetical protein 0.0082 0.1566 0.2252
Plasmodium vivax proline--tRNA ligase, putative 0.0036 0.0462 0.0441

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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