Detailed information for compound 1653465

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.591 | Formula: C26H28N4O3S
  • H donors: 4 H acceptors: 2 LogP: 5.31 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1NC(=O)c1cccc(c1)N)NC(=S)NC(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C26H28N4O3S/c1-26(2,3)18-10-8-16(9-11-18)23(31)30-25(34)28-20-12-13-21(22(15-20)33-4)29-24(32)17-6-5-7-19(27)14-17/h5-15H,27H2,1-4H3,(H,29,32)(H2,28,30,31,34)
  • InChiKey: ATIPSKWMFROFBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.023 0.004
Trichomonas vaginalis mercuric reductase, putative 0.0021 0.0305 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.023 0.004
Brugia malayi Steroid receptor seven-up type 2 0.002 0.023 0.0928
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0021 0.0305 0.0501
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.023 0.0928
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.023 0.0928
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.023 0.0046
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0021 0.0305 0.0501
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0305 0.0501
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.023 0.0928
Loa Loa (eye worm) thioredoxin reductase 0.0061 0.2474 1
Echinococcus granulosus FTZ F1 alpha 0.002 0.023 0.004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0021 0.0305 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.023 0.0928
Loa Loa (eye worm) CYP4Cod1 0.002 0.0222 0.0138
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.2474 1
Plasmodium falciparum thioredoxin reductase 0.0061 0.2474 1
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0305 0.0501
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.023 0.0046
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.023 0.004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.023 0.0928
Toxoplasma gondii NADPH-glutathione reductase 0.0021 0.0305 0.0501
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.023 0.0046
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.023 0.017
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0021 0.0305 0.0501
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Plasmodium falciparum glutathione reductase 0.0021 0.0305 0.0501
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0222 0.0138
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.023 0.0046
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.023 0.004
Schistosoma mansoni thyroid hormone receptor 0.002 0.023 0.0046
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.023 0.004
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.023 0.0928
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0222 0.0138
Trypanosoma brucei trypanothione reductase 0.0061 0.2474 1
Schistosoma mansoni coup transcription factor 0.002 0.023 0.0046
Trypanosoma brucei cytochrome P450, putative 0.002 0.0222 0.0138
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.023 0.0928
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.023 0.0928
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0021 0.0305 0.5
Schistosoma mansoni nuclear hormone receptor 0.002 0.023 0.0046
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.023 0.0046
Giardia lamblia Kinesin-5 0.0026 0.0564 1
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.023 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.023 0.0046
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0305 0.0501
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0222 0.2748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.023 0.017
Brugia malayi steroid hormone receptor 0.002 0.023 0.0928
Brugia malayi Cytochrome P450 family protein 0.002 0.0222 0.0898
Plasmodium falciparum glutathione reductase 0.0061 0.2474 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0021 0.0305 0.0501
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0021 0.0305 0.0501
Brugia malayi Cytochrome P450 family protein 0.002 0.0222 0.0898
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.023 0.0928
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.023 0.004
Echinococcus granulosus thioredoxin glutathione reductase 0.0061 0.2474 0.2328
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Entamoeba histolytica kinesin, putative 0.0026 0.0564 1
Echinococcus multilocularis FTZ F1 alpha 0.002 0.023 0.004
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.023 0.004
Plasmodium vivax thioredoxin reductase, putative 0.0061 0.2474 1
Onchocerca volvulus Bile acid receptor homolog 0.002 0.023 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0021 0.0305 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.023 0.0928
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.023 0.0046
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.023 0.0046
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.023 0.004
Leishmania major trypanothione reductase 0.0061 0.2474 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0021 0.0305 0.0117
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0305 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.023 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0021 0.0305 0.0501
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0021 0.0305 0.0117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.023 0.017
Plasmodium falciparum thioredoxin reductase 0.0021 0.0305 0.0501
Giardia lamblia NADH oxidase lateral transfer candidate 0.0021 0.0305 0.3068
Echinococcus multilocularis thioredoxin glutathione reductase 0.0061 0.2474 0.2328
Trichomonas vaginalis glutathione reductase, putative 0.0021 0.0305 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.023 0.004
Plasmodium falciparum kinesin-5 0.0026 0.0564 0.1634
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0021 0.0305 0.0501
Brugia malayi glutathione reductase 0.0061 0.2474 1
Plasmodium vivax glutathione reductase, putative 0.0061 0.2474 1
Schistosoma mansoni hypothetical protein 0.0174 0.8591 1
Brugia malayi nuclear receptor NHR-88 0.002 0.023 0.0928
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0191 0.0771
Onchocerca volvulus 0.002 0.023 0.5
Loa Loa (eye worm) glutathione reductase 0.0061 0.2474 1
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0222 0.0138
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.023 0.004
Toxoplasma gondii thioredoxin reductase 0.0061 0.2474 1
Brugia malayi Kinesin motor domain containing protein 0.0026 0.0564 0.2279
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Loa Loa (eye worm) hypothetical protein 0.002 0.023 0.017
Leishmania major cytochrome p450-like protein 0.002 0.0222 0.0138
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.023 0.0928
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.023 0.004
Plasmodium vivax kinesin-5 0.0026 0.0564 0.1634
Loa Loa (eye worm) steroid hormone receptor 0.002 0.023 0.017
Trypanosoma cruzi trypanothione reductase, putative 0.0021 0.0305 0.0501
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.023 0.004
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0061 0.2474 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0021 0.0305 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.023 0.004
Brugia malayi Cytochrome P450 family protein 0.003 0.0791 0.3195
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0021 0.0305 0.0501
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0791 0.2626
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.023 0.0046
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0021 0.0305 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.0564 0.1634
Echinococcus multilocularis kinesin family 1 0.02 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0305 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0021 0.0305 0.0136
Schistosoma mansoni kinesin eg-5 0.0026 0.0564 0.0444
Schistosoma mansoni thyroid hormone receptor 0.002 0.023 0.0046
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.0564 0.1634
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0021 0.0305 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0305 0.0501
Brugia malayi Thioredoxin reductase 0.0061 0.2474 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.023 0.004
Brugia malayi nuclear hormone receptor 0.002 0.023 0.0928
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.023 0.004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.023 0.0928
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0305 0.0501
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0021 0.0305 0.0501
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0021 0.0305 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.023 0.0928
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0021 0.0305 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.023 0.017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.023 0.004
Brugia malayi ecdysteroid receptor 0.002 0.023 0.0928
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.023 0.017
Treponema pallidum NADH oxidase 0.0021 0.0305 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.023 0.0928
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.023 0.017
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.023 0.0928
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0021 0.0305 0.1234
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0021 0.0305 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.023 0.017
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0222 0.0138

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.