Detailed information for compound 1464274

Basic information

Technical information
  • TDR Targets ID: 1464274
  • Name: 3-amino-1-(2-chlorophenothiazin-10-yl)propan- 1-one
  • MW: 304.795 | Formula: C15H13ClN2OS
  • H donors: 1 H acceptors: 1 LogP: 2.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2
  • InChi: 1S/C15H13ClN2OS/c16-10-5-6-14-12(9-10)18(15(19)7-8-17)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8,17H2
  • InChiKey: SQTAPPOMKRHHLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-1-(2-chloro-10-phenothiazinyl)propan-1-one
  • Oprea1_548620
  • STOCK3S-11667
  • BAS 01811623
  • BIM-0038998.P001
  • CBMicro_038948
  • Oprea1_638317
  • EU-0037425

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) abnormal chemotaxis protein 14 0.0044 0.0416 0.1262
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0758 0.1399
Loa Loa (eye worm) hypothetical protein 0.0053 0.0535 0.1621
Echinococcus multilocularis geminin 0.0205 0.2358 0.2358
Loa Loa (eye worm) hypothetical protein 0.0017 0.0098 0.0297
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0175 0.0197
Schistosoma mansoni hypothetical protein 0.0072 0.0758 0.1399
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0185 0.0099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0098 0.0058
Loa Loa (eye worm) hypothetical protein 0.0025 0.0185 0.056
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0111 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0111 0.3582
Loa Loa (eye worm) glutaminase 0.0283 0.3298 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0629 0.1907
Schistosoma mansoni hypothetical protein 0.0019 0.0119 0.0101
Schistosoma mansoni hypothetical protein 0.0423 0.4989 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0185 0.05
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.004 0.0369 0.1119
Loa Loa (eye worm) hypothetical protein 0.0019 0.0119 0.0361
Mycobacterium ulcerans glutaminase 0.0283 0.3298 0.3623
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0615 0.1866
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.011 0.0014
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0185 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.009 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0629 0.1137
Loa Loa (eye worm) hypothetical protein 0.0051 0.0506 0.1534
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0185 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0613 0.0688
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0211 0.2435 1
Echinococcus multilocularis zinc finger protein 0.0021 0.014 0.014
Brugia malayi hypothetical protein 0.0072 0.0758 0.2249
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.009 0.009
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0613 0.0613
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.1117 0.1254
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0111 0.0274
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0132 0.0401
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.009 0.0101
Echinococcus granulosus zinc finger protein 0.0021 0.014 0.0157
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0649 0.1178
Schistosoma mansoni ap endonuclease 0.0018 0.0111 0.0084
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.1644 0.1644
Schistosoma mansoni hypothetical protein 0.0042 0.0397 0.0666
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0119 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0629 0.1137
Echinococcus granulosus tar DNA binding protein 0.0061 0.0629 0.0706
Schistosoma mansoni hypothetical protein 0.0205 0.2358 0.4651
Schistosoma mansoni hypothetical protein 0.002 0.0132 0.0128
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0119 0.0299
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0615 0.1814
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0211 0.2435 0.2653
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0758 0.0851
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.6433
Brugia malayi CHE-14 protein 0.0044 0.0416 0.1205
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0211 0.2435 0.2642
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.009 0.0042
Schistosoma mansoni hypothetical protein 0.0042 0.0397 0.0666
Mycobacterium ulcerans hypothetical protein 0.0025 0.0185 0.0085
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0313 0.0313
Echinococcus multilocularis cpg binding protein 0.0033 0.029 0.029
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0416 0.0467
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.1644 0.1845
Brugia malayi Bromodomain containing protein 0.0037 0.034 0.0975
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0175 0.0215
Schistosoma mansoni hypothetical protein 0.0019 0.0119 0.0101
Loa Loa (eye worm) hypothetical protein 0.0102 0.1117 0.3387
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0247 0.075
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0097 0.0295
Echinococcus multilocularis GPCR, family 2 0.0019 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0019 0.0119 0.0101
Schistosoma mansoni cpg binding protein 0.0033 0.029 0.0449
Loa Loa (eye worm) hypothetical protein 0.0025 0.0185 0.056
Schistosoma mansoni glutaminase 0.0283 0.3298 0.6562
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0185 0.05
Schistosoma mansoni cpg binding protein 0.0033 0.029 0.0449
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0185 0.0085
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0185 0.0085
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0119 0.0299
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0185 0.0085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0185 0.0736
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0629 0.0629
Schistosoma mansoni cpg binding protein 0.003 0.0247 0.0361
Echinococcus granulosus GPCR family 2 0.0019 0.0119 0.0134
Echinococcus granulosus cpg binding protein 0.0033 0.029 0.0326
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0629 0.1907
Schistosoma mansoni ap endonuclease 0.0018 0.0111 0.0084
Schistosoma mansoni hypothetical protein 0.0042 0.0397 0.0666
Brugia malayi Bromodomain containing protein 0.0075 0.0793 0.2357
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0334
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.6433
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0758 0.0758
Brugia malayi PHD-finger family protein 0.0026 0.0203 0.0556
Schistosoma mansoni bromodomain containing protein 0.0063 0.0655 0.1191
Echinococcus multilocularis expressed conserved protein 0.0096 0.1042 0.1042
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0111 0.0111
Echinococcus granulosus dnaJ subfamily B 0.0423 0.4989 0.56
Schistosoma mansoni hypothetical protein 0.0019 0.0119 0.0101
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0111 0.0001
Trichomonas vaginalis glutaminase, putative 0.0283 0.3298 1
Echinococcus granulosus expressed conserved protein 0.0096 0.1042 0.117
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0629 0.1855
Echinococcus multilocularis protein patched 0.0044 0.0416 0.0416
Echinococcus granulosus geminin 0.0205 0.2358 0.2647
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0098 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0386 0.1113
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0334
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0119 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0416 0.0958
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.6433
Loa Loa (eye worm) hypothetical protein 0.0069 0.0722 0.2191
Loa Loa (eye worm) hypothetical protein 0.0044 0.0416 0.1262
Schistosoma mansoni hypothetical protein 0.0041 0.0386 0.0643
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0313 0.0351
Echinococcus multilocularis thymidine phosphorylase 0.0748 0.8909 0.8909
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0506 0.0887
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0334
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0111 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0185 0.05
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0185 0.0085
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0098 0.0098
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0111 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0185 0.056
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0111 0.0336
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0185 0.0085
Schistosoma mansoni zinc finger protein 0.0021 0.014 0.0144
Loa Loa (eye worm) glutaminase 2 0.0283 0.3298 1
Onchocerca volvulus 0.0051 0.0506 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0341 0.1035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0119 0.0361
Brugia malayi TAR-binding protein 0.0061 0.0629 0.1855
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0185 0.0085
Echinococcus granulosus thymidine phosphorylase 0.0748 0.8909 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0334
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0596 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0748 0.8909 1
Echinococcus granulosus tumor protein p63 0.0349 0.4102 0.4605
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0615 0.1866
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0111 0.0124
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0629 0.1137
Entamoeba histolytica hypothetical protein 0.0072 0.0758 0.6433
Mycobacterium ulcerans thymidine phosphorylase 0.0748 0.8909 1
Echinococcus multilocularis protein dispatched 1 0.005 0.049 0.049
Schistosoma mansoni patched 1 0.0044 0.0416 0.0704
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0185 0.0099
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0629 0.1137
Schistosoma mansoni hypothetical protein 0.0042 0.0397 0.0666
Brugia malayi CXXC zinc finger family protein 0.003 0.0247 0.069
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0119 0.0119
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0111 1
Brugia malayi RNA binding protein 0.0061 0.0629 0.1855
Echinococcus multilocularis dnaJ subfamily B 0.0423 0.4989 0.4989
Loa Loa (eye worm) hypothetical protein 0.0041 0.0386 0.117
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0416 0.0467
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0629 0.1137
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.1117 0.1117
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0185 0.0736
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.1117 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0185 0.0085
Brugia malayi glutaminase DH11.1 0.0283 0.3298 1
Loa Loa (eye worm) RNA binding protein 0.0061 0.0629 0.1907
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0615 0.1814
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0119 0.0134
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0175 0.0175
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0111 0.0014
Onchocerca volvulus 0.003 0.0247 0.1946
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1136 0.2167
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.011 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0412 0.125
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0185 0.0736
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0111 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.1117 0.3344
Echinococcus multilocularis tumor protein p63 0.0349 0.4102 0.4102
Loa Loa (eye worm) hypothetical protein 0.0018 0.011 0.0334
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0098 0.011
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0185 1
Schistosoma mansoni hypothetical protein 0.0205 0.2358 0.4651

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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