Detailed information for compound 1566315

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.714 | Formula: C14H10ClN5O3
  • H donors: 1 H acceptors: 4 LogP: 1.42 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OCCN1c1cccc(c1)n1c(=O)[nH]c2c1ncnc2Cl
  • InChi: 1S/C14H10ClN5O3/c15-11-10-12(17-7-16-11)20(13(21)18-10)9-3-1-2-8(6-9)19-4-5-23-14(19)22/h1-3,6-7H,4-5H2,(H,18,21)
  • InChiKey: QORSGTGSEYISKI-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
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0474 0.9368
Brugia malayi Carboxylesterase family protein 0.0143 0.5838 0.5968
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0171 0.7198 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2244 0.2294
Echinococcus granulosus chromobox protein 1 0.0068 0.2333 0.324
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0406 0.0406
Schistosoma mansoni carbonic anhydrase-related 0.0081 0.2924 0.4062
Echinococcus granulosus carbonic anhydrase II 0.0171 0.7198 1
Brugia malayi Carboxylesterase family protein 0.0024 0.027 0.0276
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0928 0.0677
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0081 0.2924 0.2989
Schistosoma mansoni chromobox protein 0.0068 0.2333 0.324
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0474 0.0659
Echinococcus granulosus neuroligin 0.0024 0.027 0.0375
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0506 0.0704
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0474 0.0659
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0506 0.0704
Echinococcus multilocularis carbonic anhydrase II 0.0171 0.7198 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0171 0.7198 0.7358
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 0.0704
Schistosoma mansoni acetylcholinesterase 0.0024 0.027 0.0375
Brugia malayi RNA binding protein 0.0066 0.2244 0.2294
Loa Loa (eye worm) hypothetical protein 0.0028 0.0474 0.0485
Mycobacterium ulcerans carboxylesterase, LipT 0.0024 0.027 1
Brugia malayi Carboxylesterase family protein 0.0024 0.027 0.0276
Schistosoma mansoni gliotactin 0.0024 0.027 0.0375
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Brugia malayi Carboxylesterase family protein 0.0024 0.027 0.0276
Echinococcus multilocularis carbonic anhydrase 0.0081 0.2924 0.4062
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0081 0.2924 0.2989
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0928 0.0928
Echinococcus multilocularis chromobox protein 1 0.0068 0.2333 0.324
Echinococcus granulosus tar DNA binding protein 0.0066 0.2244 0.3117
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Brugia malayi follicle stimulating hormone receptor 0.0226 0.9783 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Brugia malayi TAR-binding protein 0.0066 0.2244 0.2294
Loa Loa (eye worm) hypothetical protein 0.0038 0.0928 0.0949
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1064 0.0817
Schistosoma mansoni jumonji domain containing protein 0.0074 0.2616 0.3635
Brugia malayi Carboxylesterase family protein 0.0024 0.027 0.0276
Brugia malayi hypothetical protein 0.0024 0.027 0.0276
Onchocerca volvulus Alhambra homolog 0.0028 0.0474 0.021
Echinococcus multilocularis acetylcholinesterase 0.0143 0.5838 0.811
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0756 0.105
Trypanosoma brucei carbonic anhydrase-like protein 0.0171 0.7198 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1235 0.1716
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.027 1
Onchocerca volvulus 0.004 0.1029 0.0781
Echinococcus granulosus acetylcholinesterase 0.0143 0.5838 0.811
Loa Loa (eye worm) carboxylesterase 0.0024 0.027 0.0276
Loa Loa (eye worm) acetylcholinesterase 1 0.0143 0.5838 0.5968
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1235 0.1716
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2244 0.3117
Plasmodium falciparum carbonic anhydrase 0.0081 0.2924 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2333 0.2384
Echinococcus granulosus carbonic anhydrase 0.0081 0.2924 0.4062
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2244 0.3117
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0499 0.051
Echinococcus multilocularis carbonic anhydrase 0.0081 0.2924 0.4062
Giardia lamblia PHD finger protein 15 0.0028 0.0474 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0024 0.027 0.027
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0756 0.0773
Echinococcus multilocularis peregrin 0.0028 0.0474 0.0659
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.3516 0.4885
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 0.0704
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2333 0.2333
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2244 0.3117
Brugia malayi jmjC domain containing protein 0.0093 0.3516 0.3594
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0081 0.2924 0.2989
Brugia malayi bZIP transcription factor family protein 0.0087 0.321 0.3281
Echinococcus multilocularis sodium channel protein 0.004 0.1036 0.1439
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0998 0.1387
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0066 0.2244 0.2294
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1235 0.1716
Plasmodium falciparum phd finger protein, putative 0.0028 0.0474 0.1623
Loa Loa (eye worm) hypothetical protein 0.0143 0.5838 0.5968
Loa Loa (eye worm) carboxylesterase 0.0024 0.027 0.0276
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0456 0.0634
Onchocerca volvulus 0.0068 0.2336 0.2123
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0171 0.7198 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.027 0.0375
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1064 0.1064
Schistosoma mansoni carbonic anhydrase-related 0.0081 0.2924 0.4062
Echinococcus multilocularis carboxylesterase 5A 0.0143 0.5838 0.811
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0406 0.0406
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 0.0704
Toxoplasma gondii hypothetical protein 0.0081 0.2924 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0024 0.027 0.0375
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0024 0.027 0.0375
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0506 0.1732
Echinococcus granulosus sodium channel protein 0.004 0.1036 0.1439
Loa Loa (eye worm) hypothetical protein 0.0029 0.0506 0.0518
Echinococcus granulosus carboxylesterase 5A 0.0143 0.5838 0.811
Schistosoma mansoni hypothetical protein 0.007 0.2447 0.34
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1235 0.1263
Loa Loa (eye worm) hypothetical protein 0.0084 0.3098 0.3167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1235 0.1716
Brugia malayi Heterochromatin protein 1 0.0068 0.2333 0.2384
Leishmania major calcium channel protein, putative,ion transporter, putative 0.004 0.1036 0.1439
Loa Loa (eye worm) hypothetical protein 0.0143 0.5838 0.5968
Echinococcus multilocularis acetylcholinesterase 0.0143 0.5838 0.811
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0756 0.105
Echinococcus multilocularis carbonic anhydrase 0.0081 0.2924 0.4062
Loa Loa (eye worm) hypothetical protein 0.003 0.0542 0.0554
Echinococcus granulosus BC026374 protein S09 family 0.0024 0.027 0.0375
Brugia malayi PHD-finger family protein 0.0028 0.0474 0.0485
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.027 1
Schistosoma mansoni hypothetical protein 0.0081 0.2924 0.4062
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1064 0.1064
Echinococcus granulosus chromobox protein 1 0.0068 0.2333 0.324
Echinococcus multilocularis chromobox protein 1 0.0068 0.2333 0.324
Schistosoma mansoni carbonic anhydrase 0.0081 0.2924 0.4062
Echinococcus granulosus carbonic anhydrase 0.0081 0.2924 0.4062
Brugia malayi Pre-SET motif family protein 0.0203 0.8681 0.8874
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0171 0.7198 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0171 0.7198 0.7358
Echinococcus multilocularis para nitrobenzyl esterase 0.0024 0.027 0.0375
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0081 0.2924 0.2989
Loa Loa (eye worm) hypothetical protein 0.0081 0.2924 0.2989
Echinococcus granulosus carbonic anhydrase 0.0081 0.2924 0.4062
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.027 0.0375
Brugia malayi Carboxylesterase family protein 0.0143 0.5838 0.5968
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0087 0.321 0.446
Loa Loa (eye worm) hypothetical protein 0.0049 0.143 0.1461
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.027 0.0375
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0024 0.027 0.0375
Mycobacterium tuberculosis Carboxylesterase LipT 0.0024 0.027 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1235 0.1263
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0081 0.2924 0.2989
Loa Loa (eye worm) hypothetical protein 0.0081 0.2924 0.2989
Leishmania major carbonic anhydrase-like protein 0.0171 0.7198 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0171 0.7198 0.7358
Schistosoma mansoni jun-related protein 0.007 0.2447 0.34
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0081 0.2924 0.2989
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0171 0.7198 0.7358
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.9783 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0756 0.105
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0506 0.0704
Brugia malayi hypothetical protein 0.0068 0.2336 0.2387
Plasmodium vivax SET domain protein, putative 0.0029 0.0506 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0474 0.0659
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0474 0.0485
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2333 0.2333
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2244 0.3117
Echinococcus granulosus para nitrobenzyl esterase 0.0024 0.027 0.0375
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0087 0.321 0.446
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.004 0.1036 0.1439
Echinococcus granulosus peregrin 0.0028 0.0474 0.0659
Schistosoma mansoni carbonic anhydrase-related 0.0081 0.2924 0.4062
Echinococcus granulosus jun protein 0.0087 0.321 0.446
Schistosoma mansoni chromobox protein 0.0068 0.2333 0.324
Echinococcus multilocularis neuroligin 0.0024 0.027 0.0375
Echinococcus multilocularis jun protein 0.0087 0.321 0.446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1235 0.1716
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0171 0.7198 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0143 0.5838 0.811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1235 0.1716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1235 0.1716
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8681 0.8874
Schistosoma mansoni neuroligin 3 (S09 family) 0.0024 0.027 0.0375
Loa Loa (eye worm) hypothetical protein 0.0081 0.2924 0.2989
Brugia malayi Pre-SET motif family protein 0.0029 0.0506 0.0518
Echinococcus granulosus acetylcholinesterase 0.0143 0.5838 0.811
Loa Loa (eye worm) hypothetical protein 0.0024 0.027 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.004 0.1029 0.143
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2244 0.3117
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Brugia malayi Bromodomain containing protein 0.0028 0.0474 0.0485
Loa Loa (eye worm) carboxylesterase 0.0143 0.5838 0.5968
Brugia malayi Cytochrome P450 family protein 0.0029 0.0499 0.051
Brugia malayi chromobox protein homolog 3 0.0038 0.0928 0.0949
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2244 0.2294
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2244 0.2294
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1898 0.194
Echinococcus granulosus jumonji domain containing protein 0.004 0.0998 0.1387
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0756 0.105
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0474 0.1623
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0474 0.1623
Onchocerca volvulus 0.003 0.0542 0.0279
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.3516 0.4885
Schistosoma mansoni hypothetical protein 0.0028 0.0474 0.0659
Brugia malayi jmjC domain containing protein 0.0034 0.0756 0.0773
Echinococcus multilocularis BC026374 protein (S09 family) 0.0024 0.027 0.0375
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0928 0.0928
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0024 0.027 0.027
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2244 0.3117

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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