Detailed information for compound 1464773

Basic information

Technical information
  • TDR Targets ID: 1464773
  • Name: ZINC03998697
  • MW: 268.337 | Formula: C14H12N4S
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: n1ccc(cc1)Nc1ncnc2c1c1CCCc1s2
  • InChi: 1S/C14H12N4S/c1-2-10-11(3-1)19-14-12(10)13(16-8-17-14)18-9-4-6-15-7-5-9/h4-8H,1-3H2,(H,15,16,17,18)
  • InChiKey: VUMKKNQXNAGPRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • BIM-0038209.P001
  • Oprea1_233114
  • CBMicro_038214

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
Trichomonas vaginalis conserved hypothetical protein 0.0793 0.0421 0.5063
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.957
Trichomonas vaginalis PIKK family atypical protein kinase 0.0449 0.0202 0.1767
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1307 0.0748 0.1889
Echinococcus multilocularis serine protein kinase ATM 0.0746 0.0391 0.0309
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0376 0.0155 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0297 0.0105 0.009
Entamoeba histolytica hypothetical protein 0.0978 0.0539 0.6842
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0904 0.0491 0.6131
Loa Loa (eye worm) phosphatidylinositol 3 0.0265 0.0084 0.1086
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0376 0.0155 0.1093
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.149 0.0865 1
Loa Loa (eye worm) hypothetical protein 0.0481 0.0222 0.2857
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0265 0.0084 0.003
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0728 0.0379 0.0297
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1307 0.0748 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0305 0.011 0.0382
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1307 0.0748 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.1267 0.0723 0.9618
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0376 0.0155 0.1999
Loa Loa (eye worm) hypothetical protein 0.0265 0.0084 0.1086
Loa Loa (eye worm) hypothetical protein 0.0527 0.0251 0.3236
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0589 0.0291 0.3109
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.9569
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0376 0.0155 0.0071
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0376 0.0155 0.1067
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.149 0.0865 0.0788
Leishmania major phosphatidylinositol 3-kinase, putative 0.0376 0.0155 0.0201
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0376 0.0155 0.1067
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1307 0.0748 0.9637
Loa Loa (eye worm) hypothetical protein 0.0389 0.0163 0.2099
Trypanosoma cruzi hypothetical protein, conserved 0.5514 0.343 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.957
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0515 0.0244 0.2039
Loa Loa (eye worm) phosphatidylinositol 3 0.1352 0.0777 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0978 0.0539 0.6842
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0746 0.0391 0.462
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0265 0.0084 0.1087
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0376 0.0155 0.1067
Loa Loa (eye worm) hypothetical protein 0.0728 0.0379 0.4881
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.0736 0.9809
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1116 0.0627 0.8173
Brugia malayi FAT domain containing protein 0.0527 0.0251 0.3238
Leishmania major phosphatidylinositol 3-kinase, putative 0.1242 0.0707 0.1771
Toxoplasma gondii target of rapamycin (TOR), putative 0.1282 0.0732 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1116 0.0627 0.1647
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0376 0.0155 0.1067
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0376 0.0155 0.0241
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.957
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0515 0.0244 0.0504
Onchocerca volvulus 0.0265 0.0084 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1265 0.0722 0.9602
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0746 0.0391 0.5037
Leishmania major phosphatidylinositol kinase related protein, putative 0.0297 0.0105 0.0058
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1307 0.0748 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0851 0.0458 0.5625
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.149 0.0865 0.0788
Trichomonas vaginalis PIKK family atypical protein kinase 0.1242 0.0707 0.9379
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0793 0.0421 0.5188
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.957
Trichomonas vaginalis PIKK family atypical protein kinase 0.1242 0.0707 0.9379
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.0736 0.9809
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.9569
Loa Loa (eye worm) phosphatidylinositol 3 0.1265 0.0722 0.9291
Loa Loa (eye worm) phosphatidylinositol 3 0.1307 0.0748 0.9632
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0481 0.0222 0.0439
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0515 0.0244 0.2398
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0813 0.0433 0.5255
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0515 0.0244 0.2398
Mycobacterium tuberculosis Conserved hypothetical protein 0.0265 0.0084 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0527 0.0251 0.0168
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1116 0.0627 0.8173
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.5819 1 1
Echinococcus granulosus serine protein kinase ATM 0.0746 0.0391 0.0309
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0376 0.0155 0.1067
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0376 0.0155 0.0201
Entamoeba histolytica hypothetical protein 0.0746 0.0391 0.462
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1287 0.0736 0.1853
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0715 0.0371 0.0289
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1307 0.0748 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0265 0.0084 0.1087
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Trichomonas vaginalis conserved hypothetical protein 0.0449 0.0202 0.1767
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0728 0.0379 0.4883
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0527 0.0251 0.0168
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0715 0.0371 0.4776
Trichomonas vaginalis PIKK family atypical protein kinase 0.0759 0.0399 0.4745
Trichomonas vaginalis conserved hypothetical protein 0.0527 0.0251 0.2515
Giardia lamblia GTOR 0.1307 0.0748 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1307 0.0748 0.8501
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0376 0.0155 0.1093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0779 0.0412 0.4937
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1307 0.0748 0.1889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0754 0.0396 0.4697
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0515 0.0244 0.2398
Entamoeba histolytica protein kinase rad3, putative 0.0715 0.0371 0.4315
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0746 0.0391 0.3927
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1307 0.0748 0.067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0754 0.0396 0.4697
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.0736 0.9809
Trypanosoma cruzi target of rapamycin kinase 3 0.1287 0.0736 0.197
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1307 0.0748 0.2008
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0515 0.0244 0.2398
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0374 0.0154 0.1978
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0515 0.0244 0.2398
Loa Loa (eye worm) phosphatidylinositol kinase 0.0265 0.0084 0.1086
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1351 0.0777 0.2092
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1351 0.0777 0.0698
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0746 0.0391 0.0944
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1116 0.0627 0.8173
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1351 0.0777 0.0698
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1116 0.0627 0.8173
Loa Loa (eye worm) phosphatidylinositol 3 0.0265 0.0084 0.1086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0715 0.0371 0.4315
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1116 0.0627 0.8075
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1351 0.0777 0.2092
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.0748 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0738 0.0386 0.4538
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0265 0.0084 0.1087
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0904 0.0491 0.6131
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0715 0.0371 0.0289
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0715 0.0371 0.0883
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0376 0.0155 0.0071
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0376 0.0155 0.0241
Mycobacterium leprae conserved hypothetical protein 0.0265 0.0084 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.0748 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0746 0.0391 0.462
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0376 0.0155 0.1998
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1265 0.0722 0.1813
Echinococcus multilocularis Zinc finger, PHD finger 0.0376 0.0155 0.0071
Loa Loa (eye worm) phosphatidylinositol 3 0.0265 0.0084 0.1086
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1307 0.0748 0.2008
Trichomonas vaginalis PIKK family atypical protein kinase 0.1267 0.0723 0.9618
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.0736 0.9809
Trichomonas vaginalis PIKK family atypical protein kinase 0.1287 0.0736 0.9809
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0265 0.0084 0.003
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1287 0.0736 0.9809
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0265 0.0084 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0738 0.0386 0.4538
Onchocerca volvulus 0.0265 0.0084 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0376 0.0155 0.1067
Trichomonas vaginalis PIKK family atypical protein kinase 0.1242 0.0707 0.9379
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1351 0.0777 0.8863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0285 0.0097 0.0191
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0404 0.0173 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0376 0.0155 0.0071
Leishmania major hypothetical protein, conserved 0.5779 0.36 1
Schistosoma mansoni hypothetical protein 0.0527 0.0251 0.2139
Loa Loa (eye worm) phosphatidylinositol 3 0.0265 0.0084 0.1086
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1265 0.0722 0.9602
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1116 0.0627 0.1647
Trichomonas vaginalis PIKK family atypical protein kinase 0.1242 0.0707 0.9379
Toxoplasma gondii FATC domain-containing protein 0.0746 0.0391 0.4733
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0376 0.0155 0.0907
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0265 0.0084 0.003
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1351 0.0777 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Loa Loa (eye worm) phosphatidylinositol 3 0.025 0.0074 0.0959
Trichomonas vaginalis PIKK family atypical protein kinase 0.1282 0.0732 0.976
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1307 0.0748 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0728 0.0379 0.0297
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1242 0.0707 0.9379
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0765 0.0403 0.48
Trichomonas vaginalis PIKK family atypical protein kinase 0.1262 0.072 0.9569
Loa Loa (eye worm) hypothetical protein 0.0793 0.0421 0.5413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0754 0.0396 0.4697
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.0748 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0376 0.0155 0.0907
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0376 0.0155 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0715 0.0371 0.3669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0837 0.0449 0.5493
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0515 0.0244 0.3137
Loa Loa (eye worm) hypothetical protein 0.0715 0.0371 0.4774
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0515 0.0244 0.2398

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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