Detailed information for compound 735274

Basic information

Technical information
  • TDR Targets ID: 735274
  • Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl )sulfanyl]-1-phenothiazin-10-ylethanone
  • MW: 445.56 | Formula: C23H19N5OS2
  • H donors: 0 H acceptors: 4 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)N2c3ccccc3Sc3c2cccc3)nnc1c1ccncc1
  • InChi: 1S/C23H19N5OS2/c1-2-27-22(16-11-13-24-14-12-16)25-26-23(27)30-15-21(29)28-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)28/h3-14H,2,15H2,1H3
  • InChiKey: YEVMHJNOLJUNRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone
  • 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone
  • 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone
  • 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-yl-ethanone
  • CBKinase1_016117
  • BAS 02071325
  • CBKinase1_003717
  • Oprea1_162476

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
Mycobacterium tuberculosis Probable lipase LipE 0.0141 0.1371 0.0481
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.0497 0.068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0275 0.0497
Schistosoma mansoni hypothetical protein 0.0333 0.3551 0.6423
Onchocerca volvulus 0.0141 0.1371 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1132 0.2046
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.0405
Trichomonas vaginalis D-aminoacylase, putative 0.0141 0.1371 1
Echinococcus granulosus tumor protein p63 0.0665 0.7318 1
Brugia malayi Sodium:solute symporter family protein 0.0039 0.0207 0.0375
Trichomonas vaginalis D-aminoacylase, putative 0.0141 0.1371 1
Brugia malayi Bromodomain containing protein 0.0057 0.0415 0.0751
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.0497 0.0552
Schistosoma mansoni high-affinity choline transporter 0.0349 0.3734 0.6752
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.0095
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0055 0.0017
Brugia malayi Latrophilin receptor protein 2 0.0064 0.0497 0.09
Brugia malayi latrophilin 2 splice variant baaae 0.0138 0.1341 0.2426
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0055 0.0019
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.0025 0.0053 0.0059
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.0025 0.0053 0.0095
Schistosoma mansoni hypothetical protein 0.0064 0.0497 0.09
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0157 0.1548 0.1717
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0275 0.0305
Brugia malayi prolyl 4-hydroxylase 0.0025 0.0053 0.0095
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.3356 0.607
Echinococcus granulosus geminin 0.0333 0.3551 0.4853
Schistosoma mansoni inositol transporter 0.0039 0.0207 0.0375
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0186 0.1883 0.2573
Brugia malayi PHD-finger family protein 0.0057 0.0415 0.0751
Schistosoma mansoni importin beta-1 0.003 0.0106 0.0192
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1132 0.2046
Brugia malayi RNA recognition motif domain containing protein 0.0507 0.553 1
Brugia malayi Importin beta-1 subunit 0.003 0.0106 0.0192
Brugia malayi jmjC domain containing protein 0.0069 0.0551 0.0997
Schistosoma mansoni sodium/solute symporter 0.0039 0.0207 0.0375
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0141 0.1371 0.0481
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Loa Loa (eye worm) PHD-finger family protein 0.0057 0.0415 0.0751
Mycobacterium tuberculosis Conserved protein 0.0141 0.1371 0.0481
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0203 0.2069 0.3741
Echinococcus granulosus tar DNA binding protein 0.0507 0.553 0.7556
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0507 0.553 1
Brugia malayi MH2 domain containing protein 0.012 0.1132 0.2046
Echinococcus granulosus high affinity choline transporter 1 0.0349 0.3734 0.5102
Onchocerca volvulus 0.0025 0.0053 0.0385
Plasmodium falciparum importin beta, putative 0.003 0.0106 0.0341
Echinococcus multilocularis jumonji domain containing protein 0.0079 0.0668 0.0741
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.0497 0.068
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0157 0.1548 0.2115
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0815 0.9016 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0275 0.0497
Trichomonas vaginalis esterase, putative 0.0141 0.1371 1
Entamoeba histolytica hypothetical protein 0.0109 0.101 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1548 0.2799
Echinococcus granulosus peptidase Clp S14 family 0.0103 0.0935 0.1278
Echinococcus multilocularis tumor protein p63 0.0665 0.7318 0.8117
Mycobacterium leprae conserved hypothetical protein 0.0141 0.1371 0.8488
Loa Loa (eye worm) hypothetical protein 0.003 0.0106 0.0192
Echinococcus granulosus jumonji domain containing protein 0.0079 0.0668 0.0913
Loa Loa (eye worm) hypothetical protein 0.0064 0.0497 0.09
Toxoplasma gondii hypothetical protein 0.0054 0.0383 0.2207
Trichomonas vaginalis penicillin-binding protein, putative 0.0141 0.1371 1
Echinococcus multilocularis GPCR, family 2 0.0064 0.0497 0.0552
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0252 0.2632 0.2919
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0039 0.0207 0.1034
Echinococcus multilocularis peregrin 0.0057 0.0415 0.0461
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.0405
Echinococcus granulosus sodium:glucose cotransporter 2 0.0039 0.0207 0.0283
Schistosoma mansoni thyroid hormone receptor 0.0272 0.2861 0.5174
Schistosoma mansoni hypothetical protein 0.0057 0.0415 0.0751
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0141 0.1371 0.248
Leishmania major hypothetical protein, unknown function 0.0025 0.0053 0.0076
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0275 0.0497
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.101 0.112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0275 0.0376
Brugia malayi RNA binding protein 0.0507 0.553 1
Entamoeba histolytica hypothetical protein 0.0109 0.101 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.1548 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0103 0.0935 0.1037
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 1
Onchocerca volvulus 0.0141 0.1371 1
Brugia malayi TAR-binding protein 0.0507 0.553 1
Plasmodium falciparum phd finger protein, putative 0.0057 0.0415 0.2413
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0039 0.0207 0.023
Brugia malayi RNA, U transporter 1 0.0084 0.0726 0.1312
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Entamoeba histolytica hypothetical protein 0.0109 0.101 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0141 0.1371 0.248
Mycobacterium leprae Probable lipase LipE 0.0141 0.1371 0.8488
Schistosoma mansoni hypothetical protein 0.0252 0.2632 0.4759
Brugia malayi GH02984p 0.0349 0.3734 0.6752
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0025 0.0053 0.0076
Loa Loa (eye worm) beta-lactamase 0.0141 0.1371 0.248
Echinococcus granulosus sodium:glucose cotransporter 0.0039 0.0207 0.0283
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0025 0.0053 0.0076
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.0025 0.0053 0.0072
Schistosoma mansoni tar DNA-binding protein 0.0507 0.553 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0106 0.0145
Loa Loa (eye worm) jmjC domain-containing protein 0.0069 0.0551 0.0997
Plasmodium vivax hypothetical protein, conserved 0.0057 0.0415 0.2413
Loa Loa (eye worm) hypothetical protein 0.0349 0.3734 0.6752
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0039 0.0207 0.023
Onchocerca volvulus Alhambra homolog 0.0057 0.0415 0.3029
Schistosoma mansoni jumonji domain containing protein 0.0148 0.1449 0.262
Echinococcus multilocularis beta LACTamase domain containing family member 0.0141 0.1371 0.1521
Brugia malayi beta-lactamase 0.0141 0.1371 0.248
Entamoeba histolytica hypothetical protein 0.0109 0.101 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0117 0.1102 0.1994
Trypanosoma cruzi hypothetical protein, conserved 0.0141 0.1371 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0551 0.0611
Schistosoma mansoni tar DNA-binding protein 0.0507 0.553 1
Mycobacterium tuberculosis Conserved protein 0.0141 0.1371 0.0481
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0186 0.1883 0.2089
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 1
Echinococcus granulosus snurportin 1 0.0316 0.3356 0.4586
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0275 0.0497
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0141 0.1371 0.248
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.0025 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0097 0.0875 0.1582
Echinococcus multilocularis thyroid hormone receptor alpha 0.0272 0.2861 0.3174
Loa Loa (eye worm) hypothetical protein 0.0138 0.1341 0.2426
Echinococcus granulosus beta LACTamase domain containing family member 0.0141 0.1371 0.1874
Schistosoma mansoni hypothetical protein 0.0316 0.3356 0.607
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0141 0.1371 0.0481
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0157 0.1548 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0275 0.0376
Leishmania major hypothetical protein, conserved 0.0141 0.1371 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.0497 0.09
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0275 0.0305
Echinococcus multilocularis high affinity choline transporter 1 0.0349 0.3734 0.4141
Brugia malayi beta-lactamase family protein 0.0141 0.1371 0.248
Echinococcus granulosus GPCR family 2 0.0064 0.0497 0.068
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0252 0.2632 0.3596
Echinococcus granulosus peregrin 0.0057 0.0415 0.0568
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.101 0.138
Echinococcus multilocularis tar DNA binding protein 0.0507 0.553 0.6133
Echinococcus multilocularis solute carrier family 5 0.0039 0.0207 0.023
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.101 0.1826
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.0551 0.0997
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 0.5
Schistosoma mansoni hypothetical protein 0.0109 0.101 0.1826
Brugia malayi beta-lactamase family protein 0.0141 0.1371 0.248
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.0497 0.0552
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0095
Loa Loa (eye worm) hypothetical protein 0.0025 0.0053 0.0095
Leishmania major hypothetical protein, conserved 0.0025 0.0053 0.0076
Plasmodium vivax hypothetical protein, conserved 0.0141 0.1371 0.8819
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0157 0.1548 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.0383 0.2193
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 0.2069 0.3741
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0103 0.0935 0.4744
Echinococcus granulosus solute carrier family 5 0.0039 0.0207 0.0283
Leishmania major hypothetical protein, conserved 0.0025 0.0055 0.0095
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.0497 0.09
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.0095
Loa Loa (eye worm) RNA binding protein 0.0507 0.553 1
Brugia malayi hypothetical protein 0.0025 0.0055 0.01
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0141 0.1371 0.0481
Giardia lamblia PHD finger protein 15 0.0057 0.0415 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0055 0.01
Schistosoma mansoni hypothetical protein 0.0064 0.0497 0.09
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0106 0.0357
Schistosoma mansoni hypothetical protein 0.0064 0.0497 0.09
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0157 0.1548 1
Brugia malayi hypothetical protein 0.0109 0.101 0.1826
Schistosoma mansoni tar DNA-binding protein 0.0507 0.553 1
Mycobacterium tuberculosis Probable hydrolase 0.0141 0.1371 0.0481
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0415 0.2426
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Schistosoma mansoni hypothetical protein 0.0138 0.1341 0.2426
Echinococcus multilocularis snurportin 1 0.0316 0.3356 0.3723
Onchocerca volvulus 0.0097 0.0875 0.6381
Trypanosoma brucei hypothetical protein, conserved 0.0141 0.1371 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0069 0.0551 0.0997
Mycobacterium tuberculosis Probable esterase LipL 0.0141 0.1371 0.0481
Schistosoma mansoni peptidase Clp (S14 family) 0.0157 0.1548 0.2799
Schistosoma mansoni cellular tumor antigen P53 0.0097 0.0875 0.1582
Brugia malayi jmjC domain containing protein 0.0186 0.1883 0.3406
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0141 0.1371 0.248
Trichomonas vaginalis penicillin-binding protein, putative 0.0141 0.1371 1
Brugia malayi Probable ClpP-like protease 0.0157 0.1548 0.2799
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0039 0.0207 0.0283
Echinococcus granulosus sodium:myo inositol cotransporter 0.0039 0.0207 0.0283
Schistosoma mansoni hypothetical protein 0.0333 0.3551 0.6423
Toxoplasma gondii ABC1 family protein 0.0141 0.1371 0.8821
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 0.5
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Schistosoma mansoni hypothetical protein 0.0064 0.0497 0.09
Schistosoma mansoni tar DNA-binding protein 0.0507 0.553 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0057 0.0415 0.0751
Plasmodium vivax importin-beta 2, putative 0.003 0.0106 0.0341
Loa Loa (eye worm) hypothetical protein 0.0203 0.2069 0.3741
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.0383 0.2193
Echinococcus granulosus lysine specific demethylase 5A 0.0069 0.0551 0.0753
Mycobacterium tuberculosis Conserved protein 0.0141 0.1371 0.0481
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0751
Loa Loa (eye worm) hypothetical protein 0.0141 0.1371 0.248
Echinococcus multilocularis importin subunit beta 1 0.003 0.0106 0.0118
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0157 0.1548 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0057 0.0415 0.2426
Schistosoma mansoni inositol transporter 0.0039 0.0207 0.0375
Echinococcus multilocularis PHD finger protein rhinoceros 0.0057 0.0415 0.0461
Onchocerca volvulus 0.0039 0.0207 0.1512
Schistosoma mansoni tar DNA-binding protein 0.0507 0.553 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0207 0.0375
Echinococcus granulosus PHD finger protein rhinoceros 0.0057 0.0415 0.0568
Trypanosoma cruzi hypothetical protein, conserved 0.0141 0.1371 1
Trichomonas vaginalis D-aminoacylase, putative 0.0141 0.1371 1
Loa Loa (eye worm) TAR-binding protein 0.0507 0.553 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0876 0.1585
Echinococcus multilocularis geminin 0.0333 0.3551 0.3939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0275 0.0497
Schistosoma mansoni thyroid hormone receptor 0.0272 0.2861 0.5174
Mycobacterium tuberculosis Probable lipase LipD 0.0141 0.1371 0.0481
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0039 0.0207 0.023
Onchocerca volvulus 0.0141 0.1371 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 0.2069 0.3741

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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