Detailed information for compound 619986

Basic information

Technical information
  • TDR Targets ID: 619986
  • Name: 4-butoxy-N-[5-[2-(3,4-dihydro-2H-quinolin-1-y l)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl] benzamide
  • MW: 482.618 | Formula: C24H26N4O3S2
  • H donors: 1 H acceptors: 4 LogP: 5.08 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)C(=O)Nc1nnc(s1)SCC(=O)N1CCCc2c1cccc2
  • InChi: 1S/C24H26N4O3S2/c1-2-3-15-31-19-12-10-18(11-13-19)22(30)25-23-26-27-24(33-23)32-16-21(29)28-14-6-8-17-7-4-5-9-20(17)28/h4-5,7,9-13H,2-3,6,8,14-16H2,1H3,(H,25,26,30)
  • InChiKey: NOZREBIASXKCFP-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-butoxy-N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
  • 4-butoxy-N-[5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
  • 4-butoxy-N-[5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide

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 granulosus geminin 0.0176 0.5765 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.0362
Giardia lamblia Heat shock protein HSP 90-alpha 0.0037 0.0702 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0509 0.0367
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0863 0.281
Giardia lamblia NADH oxidase lateral transfer candidate 0.0032 0.0509 0.2979
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0863 0.1623
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0863 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0968 0.1061
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0863 0.0863
Brugia malayi PHD-finger family protein 0.0026 0.0297 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0863 0.0762
Trypanosoma cruzi Heat shock protein 83, putative 0.0037 0.0702 0.2176
Plasmodium falciparum heat shock protein 90 0.0037 0.0702 0.2079
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0714 0.1239
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0509 0.1417
Echinococcus granulosus heat shock protein 0.0037 0.0702 0.1218
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0135 0.0148
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0032 0.0509 0.1417
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0208 0.6955 0.7624
Schistosoma mansoni hypothetical protein 0.0176 0.5765 0.5765
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Schistosoma mansoni heat shock protein 0.0037 0.0702 0.0702
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.4355 0.4773
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Trichomonas vaginalis heat shock protein, putative 0.0037 0.0702 0.0582
Loa Loa (eye worm) hypothetical protein 0.004 0.0806 0.0884
Loa Loa (eye worm) hypothetical protein 0.0163 0.5311 0.5821
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0208 0.6955 0.7624
Loa Loa (eye worm) heat shock protein 90 0.0037 0.0702 0.0769
Echinococcus multilocularis endoplasmin 0.0029 0.0428 0.0742
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0268 0.9125 1
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0702 0.2176
Echinococcus granulosus heat shock protein 90 0.0037 0.0702 0.1218
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Echinococcus multilocularis heat shock protein 0.0037 0.0702 0.1218
Brugia malayi Thioredoxin reductase 0.0091 0.2687 0.2784
Mycobacterium leprae Probable lipase LipE 0.0041 0.0863 0.059
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0509 0.0884
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0091 0.2687 0.2639
Schistosoma mansoni zinc finger protein 0.002 0.0095 0.0095
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0428 0.1095
Plasmodium falciparum glutathione reductase 0.0091 0.2687 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0863 0.0508
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0863 0.0508
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0509 0.0509
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0208 0.6955 0.885
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0232 0.7803 0.8615
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0863 0.059
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0863 0.0508
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Echinococcus multilocularis geminin 0.0176 0.5765 1
Onchocerca volvulus Glucosylceramidase homolog 0.0176 0.5765 1
Plasmodium falciparum thioredoxin reductase 0.0032 0.0509 0.131
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Trypanosoma cruzi trypanothione reductase, putative 0.0032 0.0509 0.1417
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0509 0.0343
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0702 0.5
Mycobacterium ulcerans hypothetical protein 0.0041 0.0863 1
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Loa Loa (eye worm) endoplasmin 0.0037 0.0702 0.0769
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Schistosoma mansoni heat shock protein 0.0037 0.0702 0.0702
Schistosoma mansoni hypothetical protein 0.0176 0.5765 0.5765
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0863 0.0508
Loa Loa (eye worm) hypothetical protein 0.0042 0.0896 0.0982
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0863 0.0863
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.1613 0.2798
Plasmodium vivax heat shock protein 86, putative 0.0037 0.0702 0.0885
Echinococcus granulosus zinc finger protein 0.002 0.0095 0.0166
Mycobacterium tuberculosis Conserved protein 0.0041 0.0863 0.0508
Brugia malayi Bromodomain containing protein 0.004 0.0804 0.0673
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0428 0.0276
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Onchocerca volvulus 0.0163 0.5311 0.9074
Mycobacterium tuberculosis Probable reductase 0.0208 0.6955 0.7624
Mycobacterium tuberculosis Probable oxidoreductase 0.0232 0.7803 0.8615
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.2706 0.4694
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Plasmodium vivax endoplasmin, putative 0.0037 0.0702 0.0885
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0509 0.0367
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0702 0.0885
Leishmania major hypothetical protein, conserved 0.0041 0.0863 0.1926
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.0362
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Toxoplasma gondii ABC1 family protein 0.0041 0.0863 0.1623
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0032 0.0509 0.0362
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0032 0.0509 0.0095
Brugia malayi beta-lactamase family protein 0.0041 0.0863 0.074
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Brugia malayi Bromodomain containing protein 0.0078 0.2192 0.223
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0208 0.6955 0.7624
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0032 0.0509 0.1878
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0032 0.0509 0.131
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0032 0.0509 0.1878
Toxoplasma gondii heat shock protein HSP90 0.0037 0.0702 0.0885
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.2706 0.4694
Plasmodium falciparum glutathione reductase 0.0032 0.0509 0.131
Loa Loa (eye worm) beta-lactamase 0.0041 0.0863 0.0946
Echinococcus multilocularis zinc finger protein 0.002 0.0095 0.0166
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0232 0.7803 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0268 0.9125 1
Loa Loa (eye worm) glutathione reductase 0.0091 0.2687 0.2944
Toxoplasma gondii thioredoxin reductase 0.0091 0.2687 1
Trichomonas vaginalis esterase, putative 0.0041 0.0863 0.0762
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0863 0.0508
Plasmodium vivax glutathione reductase, putative 0.0091 0.2687 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0863 0.0762
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0863 0.0508
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0032 0.0509 0.1417
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0509 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0091 0.2687 0.2944
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0428 0.0276
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0702 0.0885
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Toxoplasma gondii heat shock protein 90, putative 0.0037 0.0702 0.0885
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Mycobacterium ulcerans lipase LipD 0.0041 0.0863 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0509 0.0884
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0863 0.1623
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0702 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0863 0.0762
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0863 0.074
Brugia malayi Endoplasmin precursor 0.0037 0.0702 0.0559
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0702 0.2176
Schistosoma mansoni hypothetical protein 0.0021 0.0135 0.0135
Brugia malayi beta-lactamase family protein 0.0041 0.0863 0.074
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0032 0.0509 0.0362
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0714 0.1239
Loa Loa (eye worm) hypothetical protein 0.0073 0.203 0.2225
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0032 0.0509 0.1878
Echinococcus granulosus endoplasmin 0.0029 0.0428 0.0742
Leishmania major trypanothione reductase 0.0091 0.2687 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0863 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0863 0.1497
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Brugia malayi hypothetical protein 0.0163 0.5311 0.5726
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0863 0.281
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0863 0.0762
Brugia malayi MH2 domain containing protein 0.0137 0.4355 0.4654
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Trypanosoma brucei heat shock protein, putative 0.0037 0.0702 0.0885
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0863 0.0946
Trypanosoma cruzi trypanothione reductase, putative 0.0091 0.2687 1
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0428 0.1095
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Echinococcus granulosus heat shock protein 90 0.0029 0.0428 0.0742
Schistosoma mansoni bromodomain containing protein 0.0066 0.1749 0.1749
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.6111 0.663
Trichomonas vaginalis glucosylceramidase, putative 0.0268 0.9125 1
Plasmodium falciparum thioredoxin reductase 0.0091 0.2687 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0863 0.0508
Loa Loa (eye worm) hypothetical protein 0.0041 0.0863 0.0946
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0032 0.0509 0.131
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0208 0.6955 0.7624
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0208 0.036
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.0702 0.2176
Mycobacterium ulcerans beta-lactamase 0.0041 0.0863 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0509 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0208 0.6955 0.7624
Treponema pallidum NADH oxidase 0.0032 0.0509 1
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0428 0.0276
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0702 0.2176
Plasmodium vivax thioredoxin reductase, putative 0.0091 0.2687 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0863 0.0508
Schistosoma mansoni endoplasmin 0.0037 0.0702 0.0702
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0428 0.0742
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0208 0.036
Echinococcus multilocularis heat shock protein 90 0.0037 0.0702 0.1218
Brugia malayi glutathione reductase 0.0091 0.2687 0.2784
Trypanosoma brucei Heat shock protein 83, putative 0.0037 0.0702 0.0885
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0023 0.0025
Trypanosoma brucei trypanothione reductase 0.0091 0.2687 1
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.5765 0.6244
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0863 0.1497
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.8989 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0509 1
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0863 0.0508
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0208 0.0208
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.4355 0.4773
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.1613 0.2798
Schistosoma mansoni endoplasmin 0.0037 0.0702 0.0702
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0232 0.7803 0.8615
Echinococcus multilocularis heat shock protein 90 0.0029 0.0428 0.0742
Brugia malayi heat shock protein 90 0.0037 0.0702 0.0559
Brugia malayi beta-lactamase 0.0041 0.0863 0.074
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.6111 0.663
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0863 0.0762
Leishmania major heat shock protein 83-1 0.0037 0.0702 0.1215

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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