Detailed information for compound 665990

Basic information

Technical information
  • TDR Targets ID: 665990
  • Name: ZINC01133662
  • MW: 434.271 | Formula: C19H19IN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Ic1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
  • InChi: 1S/C19H19IN2O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,21,23)
  • InChiKey: FKCAHHIOCJUFIB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 histone-lysine n-methyltransferase suv9 0.006 0.0526 0.0456
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0213 0.2757 1
Onchocerca volvulus 0.0478 0.6639 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0193 0.2464 0.8868
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0493 0.0493
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0526 0.0456
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0213 0.2757 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0211 0.2734 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0073 0.0265
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.0888 0.0888
Brugia malayi Thioredoxin reductase 0.0084 0.088 0.1413
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0073 0.0265
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0073 0.0073
Leishmania major hypothetical protein, conserved 0.0211 0.2734 1
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.088 0.0674
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.042 0.579 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0213 0.2757 0.4153
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0193 0.2464 0.8868
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0193 0.2464 0.8868
Plasmodium falciparum glutathione reductase 0.0084 0.088 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0213 0.2757 0.4153
Brugia malayi Pre-SET motif family protein 0.006 0.0526 0.0793
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Plasmodium vivax glutathione reductase, putative 0.0084 0.088 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0526 0.561
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0526 0.0456
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0213 0.2757 0.4153
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0193 0.2464 0.8868
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0073 0.0109
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.088 0.322
Plasmodium vivax SET domain protein, putative 0.006 0.0526 0.561
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0604 0.0909
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0073 0.0265
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.0604 0.2208
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0073 0.0073
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0213 0.2757 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0073 0.0263
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.2779 1
Leishmania major trypanothione reductase 0.0084 0.088 0.322
Mycobacterium tuberculosis Probable dehydrogenase 0.0193 0.2464 0.8868
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.0604 0.2208
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0526 0.0456
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0213 0.2757 0.4153
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0073 0.5
Plasmodium falciparum thioredoxin reductase 0.0084 0.088 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0214 0.2779 1
Treponema pallidum NADH oxidase 0.0029 0.0073 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.2734 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0147 0.1798 0.6469
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0073 0.0261
Loa Loa (eye worm) glutathione reductase 0.0084 0.088 0.0674
Trichomonas vaginalis set domain proteins, putative 0.0478 0.6639 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0073 0.5
Brugia malayi glutathione reductase 0.0084 0.088 0.1413
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0604 0.0909
Onchocerca volvulus 0.0213 0.2757 0.365
Brugia malayi Pre-SET motif family protein 0.042 0.579 1
Schistosoma mansoni microtubule-associated protein tau 0.0707 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0073 0.0109
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0066 0.0604 0.1996
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.0888 0.0888
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0214 0.2779 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0213 0.2757 0.4238
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0073 0.0265
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.088 0.3168
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0073 0.0265
Echinococcus multilocularis microtubule associated protein 2 0.0707 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0073 0.0263
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0073 0.0265
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0526 0.0526
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.088 1
Mycobacterium tuberculosis Probable reductase 0.0193 0.2464 0.8868
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0214 0.2779 1
Toxoplasma gondii thioredoxin reductase 0.0084 0.088 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0073 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0213 0.2757 0.4153
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.2734 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0073 0.0263
Trypanosoma brucei trypanothione reductase 0.0084 0.088 0.3035
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0213 0.2757 0.4695
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0213 0.2757 0.4153
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0213 0.2757 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0526 0.0526
Leishmania major hypothetical protein, conserved 0.0066 0.0604 0.2208
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0526 0.0526

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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