Detailed information for compound 1580599

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 267.283 | Formula: C15H13N3O2
  • H donors: 2 H acceptors: 4 LogP: 2.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1nnn(c1)Cc1cccc(c1)O
  • InChi: 1S/C15H13N3O2/c19-13-6-4-12(5-7-13)15-10-18(17-16-15)9-11-2-1-3-14(20)8-11/h1-8,10,19-20H,9H2
  • InChiKey: NBKJALZVHXLLQQ-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
Leishmania major hypothetical protein, conserved 0.0039 0.0654 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.023 0.2595
Schistosoma mansoni ferritin light chain 0.0017 0.0013 0.0013
Loa Loa (eye worm) RNA binding protein 0.0124 0.3209 0.7898
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0081 0.1062
Brugia malayi beta-lactamase family protein 0.0039 0.0654 0.161
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0081 0.0199
Echinococcus granulosus expressed protein 0.0017 0.0013 0.0013
Echinococcus multilocularis expressed protein 0.0017 0.0013 0.0013
Schistosoma mansoni DNA polymerase eta 0.002 0.0081 0.0081
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0654 1
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0654 1
Brugia malayi TAR-binding protein 0.0124 0.3209 0.7898
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0654 0.0654
Trichomonas vaginalis esterase, putative 0.0039 0.0654 1
Schistosoma mansoni ferritin 0.0017 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0349 1 1
Schistosoma mansoni ferritin 0.0017 0.0013 0.0013
Leishmania major hypothetical protein, conserved 0.0025 0.023 0.2595
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0081 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0081 0.0199
Echinococcus granulosus ferritin 0.0017 0.0013 0.0013
Mycobacterium tuberculosis Conserved protein 0.0039 0.0654 0.0927
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0654 0.0654
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0654 1
Schistosoma mansoni apoferritin-2 0.0017 0.0013 0.0013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.693 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0654 0.161
Loa Loa (eye worm) hypothetical protein 0.0152 0.4063 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.023 0.2595
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0654 0.0927
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.0013 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0081 0.0081
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0081 0.0081
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1102 0.2713
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0654 1
Onchocerca volvulus 0.0039 0.0654 0.5
Mycobacterium tuberculosis Conserved protein 0.0039 0.0654 0.0927
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.023 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0081 0.0199
Loa Loa (eye worm) hypothetical protein 0.0025 0.023 0.0566
Onchocerca volvulus 0.0039 0.0654 0.5
Brugia malayi beta-lactamase 0.0039 0.0654 0.161
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0654 0.0654
Toxoplasma gondii ABC1 family protein 0.0039 0.0654 1
Brugia malayi beta-lactamase family protein 0.0039 0.0654 0.161
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Schistosoma mansoni apoferritin-2 0.0017 0.0013 0.0013
Brugia malayi Muscleblind-like protein 0.0152 0.4063 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0081 0.1062
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0081 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1102 0.2713
Echinococcus multilocularis ferritin 0.0017 0.0013 0.0013
Schistosoma mansoni ferritin 0.0017 0.0013 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1102 0.2713
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Schistosoma mansoni ferritin light chain 0.0017 0.0013 0.0013
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0654 0.0654
Mycobacterium ulcerans beta-lactamase 0.0039 0.0654 1
Brugia malayi hypothetical protein 0.0025 0.023 0.0566
Mycobacterium leprae Probable lipase LipE 0.0039 0.0654 1
Schistosoma mansoni hypothetical protein 0.0037 0.0592 0.0592
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0592 0.1457
Echinococcus multilocularis tar DNA binding protein 0.0124 0.3209 0.3209
Brugia malayi RNA binding protein 0.0124 0.3209 0.7898
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3237 0.7968
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0654 1
Onchocerca volvulus 0.0039 0.0654 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.3209 0.7898
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0654 1
Echinococcus multilocularis muscleblind protein 0.0152 0.4063 0.4063
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0081 0.0199
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0654 1
Echinococcus multilocularis geminin 0.0349 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.4063 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0654 0.0927
Mycobacterium tuberculosis Conserved protein 0.0039 0.0654 0.0927
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0654 0.161
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0654 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0654 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0081 0.1062
Giardia lamblia DINP protein human, muc B family 0.002 0.0081 0.5
Brugia malayi MH2 domain containing protein 0.0125 0.3237 0.7968
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3209 0.3209
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.023 0.2595
Schistosoma mansoni ferritin 0.0017 0.0013 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3209 0.3209
Echinococcus granulosus dna polymerase eta 0.002 0.0081 0.0081
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0654 0.0927
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.023 0.5
Echinococcus multilocularis muscleblind protein 1 0.0152 0.4063 0.4063
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0654 0.0927
Echinococcus multilocularis dna polymerase eta 0.002 0.0081 0.0081
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0654 1
Loa Loa (eye worm) beta-lactamase 0.0039 0.0654 0.161
Loa Loa (eye worm) hypothetical protein 0.0039 0.0654 0.161
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0654 1
Schistosoma mansoni hypothetical protein 0.0349 1 1
Loa Loa (eye worm) TAR-binding protein 0.0124 0.3209 0.7898
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0654 0.0927
Echinococcus granulosus muscleblind protein 0.0152 0.4063 0.4063
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.3209 0.7898
Echinococcus granulosus dna polymerase kappa 0.002 0.0081 0.0081
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3237 0.7968
Loa Loa (eye worm) hypothetical protein 0.0054 0.1102 0.2713
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3209 0.3209
Mycobacterium ulcerans hypothetical protein 0.0039 0.0654 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3209 0.3209
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0081 0.1062
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0654 0.0927
Loa Loa (eye worm) hypothetical protein 0.0037 0.0592 0.1457
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3209 0.3209
Echinococcus granulosus tar DNA binding protein 0.0124 0.3209 0.3209
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0081 0.0081
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0654 0.0927
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0081 0.0098
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.0013 0.5
Echinococcus multilocularis dna polymerase kappa 0.002 0.0081 0.0081
Mycobacterium ulcerans lipase LipD 0.0039 0.0654 1

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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