Detailed information for compound 513586

Basic information

Technical information
  • TDR Targets ID: 513586
  • Name: 2-[3-[(3-chlorophenyl)carbamoyl]phenyl]-1,3-d ioxoisoindole-5-carboxylic acid
  • MW: 420.802 | Formula: C22H13ClN2O5
  • H donors: 2 H acceptors: 5 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
  • InChi: 1S/C22H13ClN2O5/c23-14-4-2-5-15(11-14)24-19(26)12-3-1-6-16(9-12)25-20(27)17-8-7-13(22(29)30)10-18(17)21(25)28/h1-11H,(H,24,26)(H,29,30)
  • InChiKey: PIUWZPZFSWATKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[(3-chlorophenyl)carbamoyl]phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid
  • 2-[3-[(3-chloroanilino)-oxomethyl]phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid
  • 2-[3-[(3-chlorophenyl)carbamoyl]phenyl]-1,3-dioxo-isoindole-5-carboxylic acid
  • 2-[3-[(3-chlorophenyl)carbamoyl]phenyl]-1,3-diketo-isoindoline-5-carboxylic acid
  • 2-[3-[[(3-chlorophenyl)amino]-oxomethyl]phenyl]-1,3-dioxo-5-isoindolinecarboxylic acid
  • CBMicro_028978
  • Oprea1_064242
  • BIM-0028948.P001

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 musashi 0.0028 0.0799 0.0479
Schistosoma mansoni lipoxygenase 0.0085 0.4342 0.4145
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.8331 0.8273
Schistosoma mansoni lipoxygenase 0.0121 0.6607 0.6489
Echinococcus multilocularis geminin 0.0176 1 1
Brugia malayi hypothetical protein 0.0069 0.3328 0.3995
Echinococcus multilocularis lamin dm0 0.0028 0.0799 0.0479
Loa Loa (eye worm) hypothetical protein 0.0085 0.4342 0.5212
Echinococcus multilocularis sodium channel protein 0.0039 0.1473 0.1176
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.1517 0.1222
Schistosoma mansoni lamin 0.0028 0.0799 0.0479
Brugia malayi Doublecortin family protein 0.002 0.0336 0.0404
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.6607 0.6489
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3161 0.2923
Schistosoma mansoni hypothetical protein 0.0176 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1799 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3161 0.2923
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3292 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0799 0.096
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3161 0.2923
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.3292 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0087 0.4491 0.4299
Schistosoma mansoni intermediate filament proteins 0.0028 0.0799 0.0479
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1572 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.8072 0.8004
Brugia malayi hypothetical protein 0.002 0.0336 0.0404
Brugia malayi intermediate filament protein 0.0028 0.0799 0.096
Echinococcus multilocularis jun protein 0.0087 0.4491 0.4299
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.8331 0.8273
Echinococcus granulosus lamin 0.0028 0.0799 0.0479
Echinococcus granulosus transcription factor Dp 1 0.0039 0.1517 0.1222
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0799 0.096
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1799 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3292 0.5
Onchocerca volvulus 0.0028 0.0799 0.1547
Echinococcus granulosus jun protein 0.0087 0.4491 0.4299
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.3292 0.3059
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0404
Loa Loa (eye worm) doublecortin family protein 0.002 0.0336 0.0404
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1799 0.1513
Onchocerca volvulus 0.0028 0.0799 0.1547
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0039 0.1473 0.1176
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.6607 0.6489
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.3161 0.3794
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.3292 0.3059
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.8331 1
Schistosoma mansoni hypothetical protein 0.0176 1 1
Schistosoma mansoni hypothetical protein 0.0071 0.3477 0.3249
Echinococcus granulosus tar DNA binding protein 0.0066 0.3161 0.2923
Echinococcus multilocularis lamin 0.0028 0.0799 0.0479
Onchocerca volvulus 0.0069 0.3328 1
Brugia malayi hypothetical protein 0.002 0.0336 0.0404
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3161 0.2923
Echinococcus granulosus lamin dm0 0.0028 0.0799 0.0479
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.3292 0.5
Brugia malayi TAR-binding protein 0.0066 0.3161 0.3794
Loa Loa (eye worm) acetyltransferase 0.0149 0.8331 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0087 0.4491 0.4299
Schistosoma mansoni jun-related protein 0.0071 0.3477 0.3249
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.3292 1
Loa Loa (eye worm) RNA binding protein 0.0066 0.3161 0.3794
Echinococcus granulosus sodium channel protein 0.0039 0.1473 0.1176
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0799 0.096
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.3292 0.3952
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1572 1
Brugia malayi RNA binding protein 0.0066 0.3161 0.3794
Schistosoma mansoni tar DNA-binding protein 0.0066 0.3161 0.2923
Echinococcus granulosus intermediate filament protein 0.0028 0.0799 0.0479
Loa Loa (eye worm) TAR-binding protein 0.0066 0.3161 0.3794
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.3161 0.3794
Brugia malayi bZIP transcription factor family protein 0.0087 0.4491 0.539
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.3292 0.3952
Loa Loa (eye worm) hypothetical protein 0.0027 0.0768 0.0922
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1799 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0799 0.096
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1799 0.5
Schistosoma mansoni lamin 0.0028 0.0799 0.0479
Loa Loa (eye worm) hypothetical protein 0.002 0.0336 0.0404
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1799 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.3292 0.3059
Echinococcus multilocularis tar DNA binding protein 0.0066 0.3161 0.2923

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 48 % Inhibition of human autotaxin expressed in MDA-MB-435 cells assessed as fluorescent lysophosphatidyl choline analog hydrolysis at 10 uM ChEMBL. 18036821
Inhibition (binding) = 48 % Inhibition of human autotaxin expressed in MDA-MB-435 cells assessed as fluorescent lysophosphatidyl choline analog hydrolysis at 10 uM ChEMBL. 18036821

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

1 literature reference was collected for this gene.

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