Detailed information for compound 1475594

Basic information

Technical information
  • TDR Targets ID: 1475594
  • Name: 1-(8-chloro-3-fluoro-5,6-dihydrobenzo[b][1]be nzothiepin-6-yl)-4-methylpiperazine
  • MW: 362.892 | Formula: C19H20ClFN2S
  • H donors: 0 H acceptors: 0 LogP: 4.44 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C1Cc2cc(F)ccc2Sc2c1cc(Cl)cc2
  • InChi: 1S/C19H20ClFN2S/c1-22-6-8-23(9-7-22)17-11-13-10-15(21)3-5-18(13)24-19-4-2-14(20)12-16(17)19/h2-5,10,12,17H,6-9,11H2,1H3
  • InChiKey: AJXGZNWTRBHLQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(8-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine
  • Oprea1_089142
  • AE-641/30114001

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 multilocularis cathepsin l cysteine peptidase 0.0017 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Brugia malayi hypothetical protein 0.0234 0.077 1
Onchocerca volvulus 0.0017 0.0019 0.1022
Schistosoma mansoni zinc finger protein 0.0019 0.0028 0.0121
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0006 0.0081
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0019 0.0248
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.0249 0.0249
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.002 0.0084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0054 0.0706
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0181 1
Schistosoma mansoni lamin 0.0027 0.0054 0.0232
Leishmania major cathepsin L-like protease 0.0017 0.0019 0.0863
Loa Loa (eye worm) cysteine protease 0.0017 0.0019 0.0248
Leishmania major cathepsin L-like protease 0.0017 0.0019 0.0863
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0054 0.0232
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0019 0.0248
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0048 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0019 0.0019
Echinococcus granulosus geminin 0.0168 0.0541 0.0541
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0019 0.1022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0014 0.0557
Onchocerca volvulus 0.0017 0.0019 0.1022
Loa Loa (eye worm) hypothetical protein 0.0025 0.0048 0.0617
Echinococcus multilocularis geminin 0.0168 0.0541 0.0541
Brugia malayi hypothetical protein 0.0025 0.0048 0.0617
Echinococcus multilocularis jun protein 0.0083 0.0249 0.0249
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Brugia malayi Bromodomain containing protein 0.0074 0.0218 0.2829
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0134 0.7348
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0048 1
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.077 0.077
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0048 0.2465
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0006 0.0006
Echinococcus granulosus intermediate filament protein 0.0027 0.0054 0.0054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Schistosoma mansoni hypothetical protein 0.0011 0.00000080254 0.0000034263
Trypanosoma brucei ISWI complex protein 0.0015 0.0014 0.0557
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.002 0.002
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0019 0.1022
Schistosoma mansoni bromodomain containing protein 0.0063 0.0178 0.0759
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0022 0.0283
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0004 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Brugia malayi intermediate filament protein 0.0027 0.0054 0.0706
Brugia malayi hypothetical protein 0.0065 0.0187 0.2427
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0019 0.0248
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.002 0.002
Leishmania major hypothetical protein, conserved 0.0025 0.0048 0.2465
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0054 0.0706
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0019 0.0019
Echinococcus granulosus zinc finger protein 0.0019 0.0028 0.0028
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.002 0.002
Onchocerca volvulus 0.0017 0.0019 0.1022
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0084 0.0084
Echinococcus multilocularis lamin dm0 0.0027 0.0054 0.0054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Brugia malayi bZIP transcription factor family protein 0.0083 0.0249 0.3228
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0004 0.0049
Leishmania major hypothetical protein, conserved 0.0015 0.0014 0.0557
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0019 0.0248
Schistosoma mansoni hypothetical protein 0.0168 0.0541 0.231
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0019 0.0863
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.002 0.0084
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0038 0.0164
Schistosoma mansoni microtubule-associated protein tau 0.0689 0.2342 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0472 0.6132
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0059
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.00000080254 0.00000080254
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0181 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0054 0.0706
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0006 0.0006
Echinococcus multilocularis cysteine protease 0.0017 0.0019 0.0019
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0203 0.2639
Echinococcus granulosus lamin 0.0027 0.0054 0.0054
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0019 0.0019
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0181 1
Onchocerca volvulus 0.0027 0.0054 0.2908
Schistosoma mansoni zinc finger protein 0.0015 0.0014 0.0058
Brugia malayi PHD-finger family protein 0.0025 0.0047 0.0604
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0084
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Echinococcus multilocularis zinc finger protein 0.0019 0.0028 0.0028
Echinococcus granulosus lamin dm0 0.0027 0.0054 0.0054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0019 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Echinococcus multilocularis muscleblind protein 1 0.0148 0.0472 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Brugia malayi MH2 domain containing protein 0.0118 0.037 0.48
Loa Loa (eye worm) hypothetical protein 0.0038 0.0093 0.1202
Loa Loa (eye worm) hypothetical protein 0.0042 0.0107 0.1392
Loa Loa (eye worm) hypothetical protein 0.0148 0.0472 0.6132
Leishmania major cathepsin L-like protease 0.0017 0.0019 0.0863
Leishmania major cathepsin L-like protease 0.0064 0.0181 1
Brugia malayi Muscleblind-like protein 0.0148 0.0472 0.6132
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0181 1
Brugia malayi Bromodomain containing protein 0.0038 0.0092 0.1199
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.2903 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0166 0.0166
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0019 0.0019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Echinococcus multilocularis microtubule associated protein 2 0.0689 0.2342 0.2342
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Onchocerca volvulus 0.0017 0.0019 0.1022
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0166 0.0166
Onchocerca volvulus 0.0048 0.0126 0.6759
Schistosoma mansoni survival motor neuron protein 0.0048 0.0126 0.0539
Loa Loa (eye worm) hypothetical protein 0.004 0.0101 0.1307
Onchocerca volvulus 0.0017 0.0019 0.1022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0059
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0019 0.1022
Leishmania major cathepsin L-like protease 0.0017 0.0019 0.0863
Entamoeba histolytica cysteine protease, putative 0.0017 0.0019 1
Echinococcus multilocularis musashi 0.0027 0.0054 0.0054
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0084 0.0084
Schistosoma mansoni hypothetical protein 0.0068 0.0195 0.0832
Echinococcus multilocularis cysteine protease 0.0017 0.0019 0.0019
Schistosoma mansoni hypothetical protein 0.002 0.0032 0.0136
Schistosoma mansoni lamin 0.0027 0.0054 0.0232
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.0249 0.0249
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) ctsf protein 0.0017 0.0019 0.0248
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Echinococcus multilocularis lamin 0.0027 0.0054 0.0054
Brugia malayi hypothetical protein 0.0016 0.0017 0.0221
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0011 0.0145
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0048 0.2465
Leishmania major cathepsin L-like protease 0.0064 0.0181 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0038 0.0038
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0126 0.164
Schistosoma mansoni hypothetical protein 0.0015 0.0014 0.0058
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0684
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.082 0.2795 0.5
Leishmania major cathepsin L-like protease 0.0064 0.0181 1
Onchocerca volvulus 0.0065 0.0187 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Mycobacterium ulcerans thymidine phosphorylase 0.2903 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.037 0.48
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0048 1
Schistosoma mansoni jun-related protein 0.0068 0.0195 0.0832
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0241 0.3125
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0054 0.0706
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0162 0.8925
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0017 0.002 0.0255
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.082 0.2795 0.2792
Schistosoma mansoni hypothetical protein 0.0048 0.0126 0.0539
Echinococcus granulosus cathepsin l1 0.0017 0.0019 0.0019
Echinococcus granulosus microtubule associated protein 2 0.0689 0.2342 0.2342
Echinococcus multilocularis thymidine phosphorylase 0.2903 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.002 0.0084
Schistosoma mansoni hypothetical protein 0.0168 0.0541 0.231
Loa Loa (eye worm) hypothetical protein 0.0234 0.077 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0032 0.0414
Brugia malayi Cathepsin L-like precursor 0.0017 0.0019 0.0248
Leishmania major cathepsin L-like protease 0.0017 0.0019 0.0863
Brugia malayi Cytochrome P450 family protein 0.0012 0.0004 0.0049
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0011 0.0145
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0048 0.2465
Trypanosoma cruzi ISWI complex protein 0.0015 0.0014 0.0557
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.037 0.48
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0019 0.0082
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0019 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0019 1
Loa Loa (eye worm) fibroinase 0.0017 0.0019 0.0248
Onchocerca volvulus 0.0017 0.0019 0.1022
Brugia malayi Cytochrome P450 family protein 0.0012 0.0004 0.0049
Onchocerca volvulus 0.0027 0.0054 0.2908
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0181 1
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0019 0.0863
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0019 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0048 1
Echinococcus granulosus muscleblind protein 0.0148 0.0472 0.0472
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0019 0.0082
Echinococcus multilocularis muscleblind protein 0.0148 0.0472 0.0472
Echinococcus granulosus jun protein 0.0083 0.0249 0.0249
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.077 0.077
Onchocerca volvulus 0.0017 0.0019 0.1022
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0004 0.0049

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.