Detailed information for compound 1186202

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.258 | Formula: C14H13NO3
  • H donors: 2 H acceptors: 2 LogP: 1.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(=O)[nH]c2c1cc(C)c1c2cc(o1)C
  • InChi: 1S/C14H13NO3/c1-7-3-10-9(6-16)5-12(17)15-13(10)11-4-8(2)18-14(7)11/h3-5,16H,6H2,1-2H3,(H,15,17)
  • InChiKey: DEHPUURHPFTDSP-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) hypothetical protein 0.0037 0.0387 0.0482
Leishmania major GTP-binding protein, putative 0.0047 0.0512 0.4444
Loa Loa (eye worm) kap beta 3 protein 0.0012 0.0098 0.0122
Echinococcus granulosus ATPase family AAA domain containing protein 2B 0.0004 0.00000034437 0.00000042887
Mycobacterium ulcerans lipoprotein LpqF 0.0068 0.0762 0.2608
Plasmodium falciparum T-complex protein 1 subunit beta 0.0026 0.0262 0.3678
Echinococcus multilocularis transportin 1 0.0012 0.0098 0.0098
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.045 0.3907
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0262 0.0649
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Giardia lamblia TCP-1 chaperonin subunit beta 0.0026 0.0262 0.2272
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0193
Onchocerca volvulus 0.0042 0.0453 0.3938
Brugia malayi kap beta 3 protein 0.0012 0.0098 0.0243
Plasmodium vivax importin-beta 2, putative 0.0064 0.0711 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.1151 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0262 0.0326
Plasmodium falciparum importin beta, putative 0.0064 0.0711 1
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0193
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0495 0.4298
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0586 0.1456
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.1739 0.2166
Loa Loa (eye worm) tumor suppressor 0.0346 0.4028 0.5017
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0047 0.0512 0.7193
Plasmodium falciparum transportin 0.0012 0.0098 0.1379
Trichomonas vaginalis ran, putative 0.0047 0.0512 0.4444
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0068 0.0762 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0026 0.0262 0.2272
Schistosoma mansoni ran 0.0047 0.0512 0.0637
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.1151 0.1151
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.1151 1
Entamoeba histolytica Ran family GTPase 0.0047 0.0512 0.4444
Schistosoma mansoni ran 0.0047 0.0512 0.0637
Echinococcus granulosus GPCR family 2 0.0017 0.0155 0.0193
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0026 0.0262 0.2272
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0026 0.0262 0.2272
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Leishmania major importin beta-1 subunit, putative 0.0052 0.0568 0.4936
Leishmania major hypothetical protein, conserved 0.0012 0.0098 0.0852
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0007 0.0057
Entamoeba histolytica HEAT repeat domain containing protein 0.0012 0.0098 0.0852
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0047 0.0512 0.0637
Echinococcus multilocularis translational activator gcn1 0.0012 0.0098 0.0098
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.045 0.6324
Echinococcus multilocularis importin 5 0.0012 0.0098 0.0098
Echinococcus multilocularis GPCR, family 2 0.0017 0.0155 0.0155
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0156 0.1791 0.1791
Toxoplasma gondii HEAT repeat-containing protein 0.0012 0.0098 0.1379
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0155 0.0155
Echinococcus granulosus geminin 0.0377 0.44 0.548
Trypanosoma brucei beta lactamase 0.0068 0.0762 0.6616
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0495 0.4298
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0068 0.0762 0.1148
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0026 0.0262 0.0262
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0568 0.4936
Schistosoma mansoni hypothetical protein 0.0029 0.03 0.0373
Loa Loa (eye worm) beta-lactamase 0.0042 0.0453 0.0565
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0143 0.1636 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0512 0.4444
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0453 0.0565
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0453 0.1126
Giardia lamblia Kinase, PLK 0.0102 0.1151 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0453 0.0453
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.1151 0.1434
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0012 0.0102 0.0886
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0262 0.0649
Trypanosoma brucei polo-like protein kinase 0.0102 0.1151 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0453 0.0565
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0453 0.3938
Echinococcus granulosus protein quaking 0.0029 0.03 0.0373
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.1151 0.1434
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0568 0.4936
Leishmania major T-complex protein 1, beta subunit, putative 0.0026 0.0262 0.2272
Loa Loa (eye worm) T-complex protein 1 0.0026 0.0262 0.0326
Brugia malayi beta-lactamase 0.0042 0.0453 0.1126
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0155 0.0155
Echinococcus multilocularis importin subunit beta 1 0.0064 0.0711 0.0711
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0685 0.803 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0155 0.0384
Echinococcus multilocularis protein quaking 0.0029 0.03 0.03
Echinococcus granulosus GTP binding nuclear protein Ran 0.0047 0.0512 0.0637
Echinococcus granulosus hypothetical protein 0.0029 0.03 0.0373
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0026 0.0262 0.2272
Brugia malayi ATPase, AAA family protein 0.0004 0.00000034437 0.00000085489
Loa Loa (eye worm) hypothetical protein 0.0004 0.00000034437 0.00000042887
Brugia malayi tumor suppressor. 0.0346 0.4028 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0387 0.096
Toxoplasma gondii HEAT repeat-containing protein 0.0064 0.0711 1
Schistosoma mansoni hypothetical protein 0.0377 0.44 0.548
Echinococcus granulosus snurportin 1 0.0685 0.803 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0453 0.0565
Brugia malayi hypothetical protein 0.0029 0.03 0.0744
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0155 0.0193
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0547 0.4753
Loa Loa (eye worm) importin-beta domain-containing protein 0.0012 0.0098 0.0122
Plasmodium vivax transportin, putative 0.0012 0.0098 0.1379
Loa Loa (eye worm) hypothetical protein 0.0017 0.0155 0.0193
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Trichomonas vaginalis hypothetical protein 0.0012 0.0098 0.0852
Schistosoma mansoni hypothetical protein 0.0029 0.03 0.0373
Onchocerca volvulus 0.0042 0.0453 0.3938
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0262 0.0326
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0453 0.6374
Mycobacterium tuberculosis Possible penicillin-binding protein 0.027 0.314 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.1151 1
Schistosoma mansoni importin beta-1 0.0064 0.0711 0.0886
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0026 0.0262 0.3678
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0586 0.1456
Trichomonas vaginalis CAMK family protein kinase 0.005 0.0547 0.4753
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0453 0.3938
Trypanosoma cruzi importin beta-1 subunit, putative 0.0052 0.0568 0.4936
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.1151 0.1434
Loa Loa (eye worm) hypothetical protein 0.0064 0.0711 0.0886
Schistosoma mansoni kinase 0.0052 0.0563 0.0701
Toxoplasma gondii t-complex protein beta subunit 0.0026 0.0262 0.3678
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0156 0.1791 0.223
Echinococcus multilocularis snurportin 1 0.0685 0.803 0.803
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1151 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Onchocerca volvulus 0.0042 0.0453 0.3938
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0193
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0155 0.0193
Trichomonas vaginalis esterase, putative 0.0042 0.0453 0.3938
Schistosoma mansoni hypothetical protein 0.0377 0.44 0.548
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0047 0.0512 0.4444
Echinococcus granulosus translational activator gcn1 0.0012 0.0098 0.0122
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0453 0.3938
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0453 0.0565
Loa Loa (eye worm) hypothetical protein 0.0042 0.0453 0.0565
Brugia malayi Temporarily assigned gene name protein 44 0.0029 0.03 0.0744
Trichomonas vaginalis chaperonin, putative 0.0026 0.0262 0.2272
Toxoplasma gondii ABC1 family protein 0.0042 0.0453 0.6374
Schistosoma mansoni hypothetical protein 0.0017 0.0155 0.0193
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0453 0.3938
Trypanosoma brucei AAA ATPase, putative 0.0004 0.00000034437 0.0000029908
Echinococcus granulosus transportin 1 0.0012 0.0098 0.0122
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0047 0.0512 0.127
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0155 0.0193
Entamoeba histolytica hypothetical protein 0.0052 0.0568 0.4936
Loa Loa (eye worm) hypothetical protein 0.0054 0.0586 0.073
Trichomonas vaginalis importin beta-1, putative 0.0052 0.0568 0.4936
Echinococcus multilocularis ATPase family AAA domain containing protein 2B 0.0004 0.00000034437 0.00000034437
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0155 0.0384
Brugia malayi beta-lactamase family protein 0.0042 0.0453 0.1126
Onchocerca volvulus 0.0011 0.0085 0.0735
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0143 0.1636 0.4402
Toxoplasma gondii HEAT repeat-containing protein 0.0012 0.0098 0.1379
Brugia malayi beta-lactamase family protein 0.0042 0.0453 0.1126
Echinococcus granulosus importin subunit beta 1 0.0064 0.0711 0.0886
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0453 0.3938
Brugia malayi acetyltransferase, GNAT family protein 0.0156 0.1791 0.4446
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0026 0.0262 0.0326
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0453 0.3938
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.045 0.3907
Trypanosoma brucei importin beta-1 subunit, putative 0.0064 0.0711 0.6178
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0495 0.6956
Echinococcus multilocularis geminin 0.0377 0.44 0.44
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0495 0.6956
Echinococcus granulosus importin 5 0.0012 0.0098 0.0122
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0495 0.0616
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0262 0.0326
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0012 0.0098 0.0852
Schistosoma mansoni importin-beta 2 0.0012 0.0098 0.0122
Loa Loa (eye worm) acetyltransferase 0.0156 0.1791 0.223
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0453 0.3938
Trypanosoma brucei importin beta-1 subunit, putative 0.0064 0.0711 0.6178
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0047 0.0512 0.7193
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0047 0.0512 0.0512
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0047 0.0512 0.4444
Schistosoma mansoni hypothetical protein 0.0037 0.0387 0.0482
Brugia malayi RNA, U transporter 1 0.0183 0.2106 0.5228
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.1151 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0586 0.073
Brugia malayi Importin beta-1 subunit 0.0064 0.0711 0.1766
Loa Loa (eye worm) hypothetical protein 0.0029 0.03 0.0373
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.1151 0.2858
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0495 0.6956
Schistosoma mansoni hypothetical protein 0.0685 0.803 1
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0453 0.3938
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0512 0.4444
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.1151 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0047 0.0512 0.7193
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0004 0.0007 0.0057
Leishmania major hypothetical protein, conserved 0.0042 0.0453 0.3938

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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