Detailed information for compound 1182313

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.326 | Formula: C19H15NO6
  • H donors: 2 H acceptors: 4 LogP: 2.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)c1cc2cccc(c2oc1=O)O
  • InChi: 1S/C19H15NO6/c1-2-25-18(23)11-6-8-13(9-7-11)20-17(22)14-10-12-4-3-5-15(21)16(12)26-19(14)24/h3-10,21H,2H2,1H3,(H,20,22)
  • InChiKey: MJHUWBVXXNBASC-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 0.0036 0.0796 0.0929
Mycobacterium ulcerans lipase LipD 0.0036 0.0796 0.5
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0591 0.7256
Leishmania major importin beta-1 subunit, putative 0.0023 0.0435 0.2037
Leishmania major GTP-binding protein, putative 0.0021 0.0373 0.0675
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0796 0.1529
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0796 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0373 0.0373
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0373 0.0436
Mycobacterium ulcerans beta-lactamase 0.0036 0.0796 0.5
Echinococcus granulosus snurportin 1 0.0306 0.8569 0.8569
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0189 0.5206 0.5206
Entamoeba histolytica hypothetical protein 0.0036 0.0812 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0343 0.3932
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.5206 0.5206
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0373 0.4341
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0796 0.0796
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0049 0.0049
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0373 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0343 0.0343
Trichomonas vaginalis ran, putative 0.0021 0.0373 0.4689
Brugia malayi Importin beta-1 subunit 0.0029 0.0591 0.1135
Loa Loa (eye worm) hypothetical protein 0.001 0.006 0.007
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0225 0.0432
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0343 0.0343
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0435 0.5465
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0796 0.5
Echinococcus granulosus importin subunit beta 1 0.0029 0.0591 0.0591
Schistosoma mansoni hypothetical protein 0.0016 0.0225 0.0225
Treponema pallidum ATP-dependent DNA helicase 0.001 0.006 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0796 0.0796
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0796 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0373 0.0717
Entamoeba histolytica hypothetical protein 0.0023 0.0435 0.5354
Entamoeba histolytica Ran family GTPase 0.0021 0.0373 0.4594
Brugia malayi beta-lactamase family protein 0.0036 0.0796 0.1529
Onchocerca volvulus 0.0036 0.0796 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0796 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.5206 0.5206
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1216 0.2336
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0796 0.5
Echinococcus multilocularis snurportin 1 0.0306 0.8569 0.8569
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.006 0.015
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0373 0.4341
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0796 1
Entamoeba histolytica recQ family DNA helicase 0.001 0.006 0.0739
Loa Loa (eye worm) hypothetical protein 0.001 0.006 0.007
Brugia malayi beta-lactamase 0.0036 0.0796 0.1529
Mycobacterium ulcerans hypothetical protein 0.0036 0.0796 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0225 0.0432
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0373 0.0675
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.3089 0.3605
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.3089 0.3605
Plasmodium vivax importin-beta 2, putative 0.0029 0.0591 0.7256
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0373 0.4255
Loa Loa (eye worm) hypothetical protein 0.0036 0.0796 0.0929
Entamoeba histolytica hypothetical protein 0.0036 0.0812 1
Leishmania major hypothetical protein, conserved 0.0036 0.0796 1
Brugia malayi hypothetical protein 0.0036 0.0812 0.1561
Entamoeba histolytica recQ family helicase, putative 0.002 0.0343 0.4217
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0343 0.0658
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0435 0.5465
Schistosoma mansoni DNA helicase recq1 0.002 0.0343 0.0343
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1216 0.2336
Schistosoma mansoni hypothetical protein 0.0016 0.0225 0.0225
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0189 0.5206 0.5206
Schistosoma mansoni hypothetical protein 0.0034 0.0757 0.0757
Toxoplasma gondii ABC1 family protein 0.0036 0.0796 1
Schistosoma mansoni hypothetical protein 0.0036 0.0812 0.0812
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0189 0.5206 0.5206
Loa Loa (eye worm) hypothetical protein 0.0029 0.0591 0.069
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0435 0.5465
Loa Loa (eye worm) hypothetical protein 0.0034 0.0757 0.0884
Loa Loa (eye worm) hypothetical protein 0.0036 0.0796 0.0929
Schistosoma mansoni ran 0.0021 0.0373 0.0373
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0343 0.384
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0796 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0343 0.0658
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.006 0.015
Echinococcus granulosus bloom syndrome protein 0.002 0.0343 0.0343
Echinococcus granulosus GPCR family 2 0.0016 0.0225 0.0225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0016 0.0225 0.0263
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0757 0.1455
Loa Loa (eye worm) hypothetical protein 0.0036 0.0796 0.0929
Brugia malayi beta-lactamase family protein 0.0036 0.0796 0.1529
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0796 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0225 0.0225
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0796 0.0796
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0343 0.0343
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0343 0.4304
Loa Loa (eye worm) hypothetical protein 0.005 0.1216 0.1419
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0225 0.0225
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0343 0.3932
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0343 0.4304
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0796 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.0343 0.0343
Schistosoma mansoni hypothetical protein 0.0016 0.0225 0.0225
Schistosoma mansoni DNA helicase recq5 0.002 0.0343 0.0343
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.8569 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0343 0.0343
Trichomonas vaginalis esterase, putative 0.0036 0.0796 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1216 0.1419
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.0036 0.0796 0.0929
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0189 0.5206 1
Entamoeba histolytica hypothetical protein 0.0036 0.0812 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0591 0.0591
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0343 0.0658
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0189 0.5206 0.5206
Onchocerca volvulus 0.0036 0.0796 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0812 0.0812
Entamoeba histolytica recQ family helicase, putative 0.001 0.0049 0.0602
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0591 0.5477
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0435 0.5095
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0189 0.5206 0.6075
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0373 0.1233
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0343 0.4304
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0373 0.4255
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0812 0.0812
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0343 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0796 1
Entamoeba histolytica hypothetical protein 0.0036 0.0812 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0189 0.5206 0.5206
Loa Loa (eye worm) RecQ helicase 0.002 0.0343 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0796 1
Brugia malayi RNA, U transporter 1 0.0081 0.2111 0.4055
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.6344 1
Schistosoma mansoni importin beta-1 0.0029 0.0591 0.0591
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0591 0.5477
Plasmodium falciparum importin beta, putative 0.0029 0.0591 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0796 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0225 0.0263
Loa Loa (eye worm) hypothetical protein 0.0036 0.0796 0.0929
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.002 0.0343 0.04
Schistosoma mansoni hypothetical protein 0.0016 0.0225 0.0225
Echinococcus multilocularis GPCR, family 2 0.0016 0.0225 0.0225
Loa Loa (eye worm) beta-lactamase 0.0036 0.0796 0.0929
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0812 0.0812
Brugia malayi MH2 domain containing protein 0.0115 0.3089 0.5933
Onchocerca volvulus 0.0036 0.0796 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0373 0.0373
Schistosoma mansoni ran 0.0021 0.0373 0.0373
Schistosoma mansoni hypothetical protein 0.0306 0.8569 0.8569
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0225 0.0225
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0796 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0796 0.0929

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 128 ug ml-1 Antibacterial activity against Escherichia coli after 18 to 22 hrs by broth microdilution method ChEMBL. 20630755
MIC (functional) > 128 ug ml-1 Antifungal activity against Candida albicans after 24 hrs by broth microdilution method ChEMBL. 20630755

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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