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

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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