Detailed information for compound 978206

Basic information

Technical information
  • TDR Targets ID: 978206
  • Name: 2-[[4-[2-(3,4-dichlorophenyl)ethyl]phenyl]ami no]-5-nitrobenzoic acid
  • MW: 431.269 | Formula: C21H16Cl2N2O4
  • H donors: 2 H acceptors: 4 LogP: 6.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(ccc1Nc1ccc(cc1)CCc1ccc(c(c1)Cl)Cl)[N+](=O)[O-]
  • InChi: 1S/C21H16Cl2N2O4/c22-18-9-5-14(11-19(18)23)2-1-13-3-6-15(7-4-13)24-20-10-8-16(25(28)29)12-17(20)21(26)27/h3-12,24H,1-2H2,(H,26,27)
  • InChiKey: GWKARODGJMADCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[4-[2-(3,4-dichlorophenyl)ethyl]phenyl]amino]-5-nitro-benzoic 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 ran 0.0021 0.051 0.0405
Leishmania major importin beta-1 subunit, putative 0.0024 0.0582 1
Brugia malayi Protein kinase domain containing protein 0.001 0.0121 0.0049
Schistosoma mansoni importin beta-1 0.0029 0.0762 0.066
Echinococcus granulosus serine:threonine protein kinase NLK 0.001 0.0121 0.0012
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0582 1
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.014 0.4391 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.051 0.6694
Brugia malayi Cell division protein kinase 2 0.001 0.0121 0.0049
Echinococcus multilocularis cyclin dependent kinase 9 0.001 0.0121 0.0012
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.001 0.0121 0.0012
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0582 1
Entamoeba histolytica Ran family GTPase 0.0021 0.051 0.8486
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0582 1
Entamoeba histolytica cell division protein kinase 2, putative 0.001 0.0121 0.025
Trichomonas vaginalis ran, putative 0.0021 0.051 0.8447
Schistosoma mansoni ran 0.0021 0.051 0.0405
Trypanosoma brucei protein kinase, putative 0.001 0.0121 0.1592
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 1 1
Schistosoma mansoni hypothetical protein 0.0311 1 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.001 0.0121 0.0012
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.051 0.0911
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0131 0.4089 1
Plasmodium falciparum MO15-related protein kinase 0.014 0.4391 1
Echinococcus multilocularis snurportin 1 0.0311 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0762 1
Schistosoma mansoni serine/threonine protein kinase 0.001 0.0121 0.0012
Echinococcus multilocularis serine:threonine protein kinase NLK 0.001 0.0121 0.0012
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.051 0.0405
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.001 0.0121 0.1592
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0762 0.066
Loa Loa (eye worm) hypothetical protein 0.0029 0.0762 0.066
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0762 0.0704
Echinococcus granulosus Cell division cycle 2 protein kinase 0.001 0.0121 0.0012
Plasmodium falciparum importin beta, putative 0.0029 0.0762 0.0649
Entamoeba histolytica protein kinase domain containing protein 0.001 0.0121 0.025
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.051 1
Brugia malayi Importin beta-1 subunit 0.0029 0.0762 0.2705
Brugia malayi RNA, U transporter 1 0.0083 0.2523 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.051 0.0405
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0762 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.051 0.1661
Schistosoma mansoni protein kinase 0.001 0.0121 0.0012
Echinococcus granulosus mitogen activated protein kinase 15 0.001 0.0121 0.0012
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.051 0.8447
Schistosoma mansoni serine/threonine kinase 0.001 0.0121 0.0012
Echinococcus granulosus importin subunit beta 1 0.0029 0.0762 0.066
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.051 0.8447
Echinococcus granulosus cyclin dependent kinase 9 0.001 0.0121 0.0012
Leishmania major GTP-binding protein, putative 0.0021 0.051 0.8447
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.001 0.0121 0.0012
Entamoeba histolytica hypothetical protein 0.0024 0.0582 1
Brugia malayi cyclin-dependent kinase 7 homolog 0.001 0.0121 0.0049
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0582 1
Loa Loa (eye worm) haspin protein kinase 0.001 0.0121 0.0012
Plasmodium vivax importin-beta 2, putative 0.0029 0.0762 0.1501
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.051 0.0405

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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