Detailed information for compound 1599949

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.555 | Formula: C22H23NS2
  • H donors: 1 H acceptors: 0 LogP: 5.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCSC(c1ccccc1)(c1ccccc1)c1ccc(cc1)SC
  • InChi: 1S/C22H23NS2/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17,23H2,1H3
  • InChiKey: SKJMEORHWFIJNY-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.025 0.025
Echinococcus granulosus GPCR family 2 0.0013 0.007 0.0148
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.025 0.025
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0034 0.0718 0.6178
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0827 0.2093
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.2599 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1161 0.3095
Mycobacterium ulcerans hypothetical protein 0.013 0.3687 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.2305 0.6252
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.025 0.0304
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.093 0.093
Brugia malayi Latrophilin receptor protein 2 0.0013 0.007 0.007
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0048 0.1161 0.2457
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.025 0.0605
Schistosoma mansoni hypothetical protein 0.0138 0.3949 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0117 0.328 0.4496
Schistosoma mansoni hypothetical protein 0.0013 0.007 0.0178
Schistosoma mansoni tar DNA-binding protein 0.0102 0.2825 0.7153
Toxoplasma gondii cytochrome p450 superfamily protein 0.0012 0.0029 0.0253
Brugia malayi acetyltransferase, GNAT family protein 0.0115 0.3227 0.3227
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0247 0.7295 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.013 0.3687 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0012 0.0029 0.008
Schistosoma mansoni hypothetical protein 0.0013 0.007 0.0178
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0012 0.0029 0.008
Loa Loa (eye worm) glutathione reductase 0.0037 0.0826 0.0826
Plasmodium falciparum thioredoxin reductase 0.0037 0.0826 1
Plasmodium falciparum thioredoxin reductase 0.0013 0.0072 0.0873
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0164 0.4727 1
Trypanosoma brucei trypanothione reductase 0.0037 0.0826 0.1097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0827 0.0827
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0029 0.0555 0.1173
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0012 0.0029 0.008
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0115 0.3227 0.6827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0827 0.2093
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0072 0.0099
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0072 0.0072
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0035 0.0744 0.0983
Echinococcus granulosus histone acetyltransferase KAT2B 0.0112 0.3128 0.6616
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0072 0.0059
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0826 0.2241
Toxoplasma gondii hypothetical protein 0.004 0.0902 0.7762
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0072 0.0117
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0012 0.0029 0.008
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0072 0.0873
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1161 0.3095
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0072 0.0873
Loa Loa (eye worm) acetyltransferase 0.0115 0.3227 0.3227
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.2599 0.7049
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0072 0.0059
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0034 0.0718 0.6178
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.1161 0.2941
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0247 0.7295 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0153
Loa Loa (eye worm) hypothetical protein 0.0334 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0013 0.007 0.0148
Loa Loa (eye worm) CYP4Cod1 0.0019 0.025 0.025
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0012 0.0029 0.008
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0183
Schistosoma mansoni tar DNA-binding protein 0.0102 0.2825 0.7153
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1161 0.3095
Loa Loa (eye worm) hypothetical protein 0.0041 0.093 0.093
Echinococcus granulosus histone acetyltransferase KAT2B 0.0034 0.0718 0.1518
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0072 0.0099
Leishmania major cytochrome p450-like protein 0.0012 0.0029 0.004
Brugia malayi hypothetical protein 0.0029 0.0555 0.0555
Treponema pallidum NADH oxidase 0.0013 0.0072 0.5
Echinococcus multilocularis geminin 0.0138 0.3949 0.8353
Brugia malayi Cytochrome P450 family protein 0.0012 0.0029 0.0029
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0012 0.0029 0.008
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0072 0.0059
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.2305 0.6252
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.0532 0.0532
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0827 0.1749
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0029 0.0062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0102 0.2825 0.2825
Brugia malayi Cytochrome P450 family protein 0.0043 0.0993 0.0993
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0247 0.7295 1
Echinococcus multilocularis 0.0012 0.0029 0.0062
Loa Loa (eye worm) hypothetical protein 0.0013 0.007 0.007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0013 0.007 0.007
Brugia malayi TAR-binding protein 0.0102 0.2825 0.2825
Leishmania major mitochondrial DNA polymerase beta 0.0247 0.7295 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Loa Loa (eye worm) RNA binding protein 0.0102 0.2825 0.2825
Brugia malayi glutathione reductase 0.0037 0.0826 0.0826
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0099
Plasmodium falciparum histone acetyltransferase GCN5 0.0031 0.063 0.7629
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0012 0.0029 0.008
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.1161 0.2941
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.2305 0.6252
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0117 0.328 0.4474
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0072 0.0873
Echinococcus multilocularis sodium channel protein 0.0164 0.4727 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0048 0.1161 0.1592
Entamoeba histolytica hypothetical protein 0.0029 0.0555 0.8796
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0117 0.328 0.4474
Schistosoma mansoni hypothetical protein 0.0012 0.0029 0.0074
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0012 0.0029 0.008
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0072 0.5
Schistosoma mansoni hypothetical protein 0.0013 0.007 0.0178
Brugia malayi Cytochrome P450 family protein 0.0019 0.025 0.025
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0072 0.0059
Loa Loa (eye worm) TAR-binding protein 0.0102 0.2825 0.2825
Entamoeba histolytica hypothetical protein 0.0029 0.0555 0.8796
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0827 0.1749
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0012 0.0029 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.093 0.093
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0012 0.0029 0.008
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0034 0.0718 1
Onchocerca volvulus 0.0011 0 0.5
Leishmania major trypanothione reductase 0.0037 0.0826 0.1133
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0012 0.0029 0.008
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0072 0.1005
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0099
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0012 0.0029 0.008
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0978 0.1306
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.2305 0.8857
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0059
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0012 0.0029 0.008
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0072 0.0117
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0012 0.0029 0.008
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0117
Brugia malayi Thioredoxin reductase 0.0037 0.0826 0.0826
Mycobacterium tuberculosis Probable reductase 0.0085 0.2305 0.6252
Echinococcus granulosus sodium channel protein 0.0164 0.4727 1
Plasmodium falciparum glutathione reductase 0.0013 0.0072 0.0873
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0048 0.1161 0.2457
Leishmania major cytochrome p450-like protein 0.0019 0.025 0.0343
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0035 0.0744 0.0983
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0744 0.0983
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2599 0.7049
Echinococcus multilocularis GPCR, family 2 0.0013 0.007 0.0148
Entamoeba histolytica hypothetical protein 0.0029 0.0555 0.8796
Echinococcus multilocularis tar DNA binding protein 0.0102 0.2825 0.5975
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0115 0.3227 0.8173
Entamoeba histolytica acetyltransferase, GNAT family 0.0031 0.063 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0059
Leishmania major cytochrome p450-like protein 0.0012 0.0029 0.004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0993 0.0993
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0072 0.0153
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0048 0.1161 0.315
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0029 0.0555 0.1173
Giardia lamblia Histone acetyltransferase GCN5 0.0031 0.063 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0826 0.1748
Schistosoma mansoni hypothetical protein 0.0138 0.3949 1
Toxoplasma gondii thioredoxin reductase 0.0037 0.0826 0.7116
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0012 0.0029 0.008
Loa Loa (eye worm) cytochrome P450 0.0012 0.0029 0.0029
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0826 0.1097
Trichomonas vaginalis bromodomain-containing protein, putative 0.0034 0.0718 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0827 0.0827
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0826 1
Toxoplasma gondii aldehyde dehydrogenase 0.0048 0.1161 1
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.025 0.0304
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0072 0.0621
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.093 0.093
Schistosoma mansoni hypothetical protein 0.0028 0.0532 0.1348
Schistosoma mansoni tar DNA-binding protein 0.0102 0.2825 0.7153
Brugia malayi cytochrome P450 0.0012 0.0029 0.0029
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.007 0.007
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0072 0.0059
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.2305 0.6252
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.007 0.0148
Plasmodium falciparum glutathione reductase 0.0037 0.0826 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0072 0.0059
Schistosoma mansoni tar DNA-binding protein 0.0102 0.2825 0.7153
Schistosoma mansoni tar DNA-binding protein 0.0102 0.2825 0.7153
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0072 1
Trypanosoma brucei cytochrome P450, putative 0.0019 0.025 0.0304
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0826 0.1748
Schistosoma mansoni hypothetical protein 0.0029 0.0555 0.1404
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0072 0.1005
Schistosoma mansoni transcription factor LCR-F1 0.0029 0.0555 0.1404
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0034 0.0718 0.8683
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0826 0.0826
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.2599 0.7049
Echinococcus granulosus geminin 0.0138 0.3949 0.8353
Brugia malayi sulfakinin receptor protein 0.0334 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0102 0.2825 0.2825
Plasmodium vivax glutathione reductase, putative 0.0037 0.0826 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0532 0.0532
Entamoeba histolytica hypothetical protein 0.0029 0.0555 0.8796
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0013 0.007 0.0148
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0072 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0012 0.0029 0.008
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.2305 0.6252
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0072 0.0873
Brugia malayi Cytochrome P450 family protein 0.0019 0.025 0.025
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.007 0.0148
Brugia malayi RNA binding protein 0.0102 0.2825 0.2825
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0827 0.1749
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0072 0.0621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0827 0.2093
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0072 0.0196
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0012 0.0029 0.008
Schistosoma mansoni hypothetical protein 0.0013 0.007 0.0178
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0012 0.0029 0.008
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0012 0.0029 0.008
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0012 0.0029 0.008
Schistosoma mansoni cytochrome P450 0.0012 0.0029 0.0074
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0164 0.4727 0.648
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0035 0.0744 0.0983
Echinococcus granulosus tar DNA binding protein 0.0102 0.2825 0.5975
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0012 0.0029 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0827 0.1749

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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