Detailed information for compound 1590078

Basic information

Technical information
  • TDR Targets ID: 1590078
  • Name: 2,3,7-trichloro-10H-phenothiazine-1,4-dione
  • MW: 340.653 | Formula: C12H12Cl3NO2S
  • H donors: 1 H acceptors: 2 LogP: 4.44 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC1CCC2C(C1)SC1=C(N2)C(=O)C(C(C1=O)Cl)Cl
  • InChi: 1S/C12H4Cl3NO2S/c13-4-1-2-5-6(3-4)19-12-9(16-5)10(17)7(14)8(15)11(12)18/h1-3,16H
  • InChiKey: HYUMDPDNCXJVQD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3,7-trichloro-10H-phenothiazine-1,4-quinone
  • NSC306736

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.1934 0.1934
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0486 0.0499
Brugia malayi TAR-binding protein 0.0071 0.387 0.3969
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.387 0.3969
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0124 0.0244
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0486 0.0499
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.2744 0.5373
Mycobacterium tuberculosis Probable dehydrogenase 0.0122 0.699 0.8852
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0578 0.0593
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.1027 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Schistosoma mansoni hypothetical protein 0.0012 0.0199 0.0199
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.5108 0.5239
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0758 0.0758
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0578 0.1033
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1144 0.3891
Onchocerca volvulus 0.0166 0.975 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0124 0.0000000012075
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0578 0.1704
Schistosoma mansoni DNA polymerase eta 0.0017 0.0486 0.0486
Loa Loa (eye worm) hypothetical protein 0.0091 0.5108 0.5239
Leishmania major DNA polymerase kappa, putative 0.0017 0.0486 0.0652
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0486 0.0952
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0578 0.1733
Brugia malayi hypothetical protein 0.0166 0.975 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0199 0.0389
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0578 0.3185
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0578 0.1033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.1934 0.3786
Loa Loa (eye worm) hypothetical protein 0.0166 0.975 1
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0578 0.1733
Plasmodium falciparum glutathione reductase 0.0018 0.0578 0.1733
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0554 0.164
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0578 0.005
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.1027 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.1144 0.1173
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0486 0.0652
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.2744 1
Entamoeba histolytica hypothetical protein 0.0026 0.1027 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.7798 0.7998
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0122 0.699 0.8852
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0578 0.1033
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.5108 0.5108
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0578 0.1733
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.1934 0.3786
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0274 0.0281
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0199 0.0389
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.7834 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Brugia malayi Thioredoxin reductase 0.0053 0.2744 0.2815
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0578 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.1934 0.1934
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.1027 0.289
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0122 0.699 0.8761
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.1027 0.3444
Trichomonas vaginalis DNA polymerase eta, putative 0.0017 0.0486 0.2009
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.1934 0.3786
Schistosoma mansoni tar DNA-binding protein 0.0071 0.387 0.387
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0124 0.0128
Echinococcus granulosus dna polymerase kappa 0.0017 0.0486 0.0952
Schistosoma mansoni DNA helicase recq5 0.0011 0.0124 0.0124
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0578 0.1704
Loa Loa (eye worm) TAR-binding protein 0.0071 0.387 0.3969
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0486 0.0499
Trypanosoma brucei unspecified product 0.0017 0.0486 0.1268
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0486 0.0652
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0122 0.699 0.8852
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0017 0.0486 0.2009
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0124 0.0128
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.004 0.1934 0.1983
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.1113 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0578 0.1033
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.1027 0.3444
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0578 0.1624
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0.1027 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0486 0.0652
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0578 0.1624
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.2744 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.1144 0.3891
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.1144 0.3891
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0578 0.1132
Echinococcus granulosus tar DNA binding protein 0.0071 0.387 0.7577
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0122 0.699 0.8852
Leishmania major hypothetical protein, conserved 0.0028 0.1144 0.3375
Brugia malayi MH2 domain containing protein 0.0135 0.7798 0.7998
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.1027 0.0736
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.004 0.1934 0.1983
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0124 0.0244
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.1027 0.3444
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0274 0.0281
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0486 0.1268
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.5108 1
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0578 0.3185
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.0486 0.1268
Loa Loa (eye worm) hypothetical protein 0.0017 0.0486 0.0499
Schistosoma mansoni tar DNA-binding protein 0.0071 0.387 0.387
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0122 0.699 0.8852
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.2744 0.5373
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.1027 0.3358
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.7834 1
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.2744 0.2815
Schistosoma mansoni tar DNA-binding protein 0.0071 0.387 0.387
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0486 0.0486
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Echinococcus granulosus bloom syndrome protein 0.0027 0.1113 0.2178
Schistosoma mansoni tar DNA-binding protein 0.0071 0.387 0.387
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1144 0.3375
Schistosoma mansoni tar DNA-binding protein 0.0071 0.387 0.387
Echinococcus multilocularis dna polymerase kappa 0.0017 0.0486 0.0952
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.7834 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.1027 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0486 0.0486
Brugia malayi hypothetical protein 0.0018 0.0536 0.055
Leishmania major DNA polymerase eta, putative 0.0017 0.0486 0.0652
Loa Loa (eye worm) glutathione reductase 0.0053 0.2744 0.2815
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0578 0.1033
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0486 0.1268
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0578 1
Plasmodium falciparum thioredoxin reductase 0.0018 0.0578 0.1733
Toxoplasma gondii thioredoxin reductase 0.0053 0.2744 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Trypanosoma brucei trypanothione reductase 0.0053 0.2744 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0578 0.1624
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0124 0.0244
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0.0486 0.2256
Brugia malayi hypothetical protein 0.0028 0.1144 0.1173
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.1027 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0578 0.1624
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Loa Loa (eye worm) RNA binding protein 0.0071 0.387 0.3969
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0908 0.2991
Trypanosoma cruzi DNA polymerase eta, putative 0.0017 0.0486 0.0652
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0578 0.005
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.1027 0.211
Leishmania major trypanothione reductase 0.0053 0.2744 1
Plasmodium vivax glutathione reductase, putative 0.0053 0.2744 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.1144 0.3375
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0578 0.0578
Schistosoma mansoni DNA helicase recq1 0.0011 0.0124 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.1934 0.1934
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.387 0.3969
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0124 0.0128
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0578 0.1704
Echinococcus multilocularis dna polymerase eta 0.0017 0.0486 0.0952
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Brugia malayi glutathione reductase 0.0053 0.2744 0.2815
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0578 0.1033
Mycobacterium tuberculosis Probable reductase 0.0122 0.699 0.8852
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0486 0.0952
Giardia lamblia DINP protein human, muc B family 0.0017 0.0486 0.797
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.7798 0.7998
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0124 0.0244
Echinococcus granulosus dna polymerase eta 0.0017 0.0486 0.0952
Echinococcus multilocularis bloom syndrome protein 0.0027 0.1113 0.2178
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.1113 0.1141
Loa Loa (eye worm) hypothetical protein 0.0136 0.79 0.8103
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0578 0.1733
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.5108 1
Brugia malayi RNA binding protein 0.0071 0.387 0.3969
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0329 0.0659
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.1113 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0124 0.0128
Loa Loa (eye worm) RecQ helicase 0.0027 0.1113 0.1141
Plasmodium falciparum glutathione reductase 0.0053 0.2744 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.1934 0.3786
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.1144 0.3811
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0486 0.1268
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.7834 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.387 0.7577
Trypanosoma brucei DNA polymerase IV, putative 0.0017 0.0486 0.1268
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0578 0.1132
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0017 0.0486 0.0652
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.2744 0.3073
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.1144 0.2648
Trypanosoma cruzi DNA polymerase kappa, putative 0.0017 0.0486 0.0652
Plasmodium falciparum thioredoxin reductase 0.0053 0.2744 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.112 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.776 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.741 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.632 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.367 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.275 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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