Detailed information for compound 1466068

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.375 | Formula: C12H18N6O2S
  • H donors: 2 H acceptors: 3 LogP: 0.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1nc2c(s1)c(nc(n2)N)N1CCOCC1
  • InChi: 1S/C12H18N6O2S/c1-19-5-2-14-12-16-9-8(21-12)10(17-11(13)15-9)18-3-6-20-7-4-18/h2-7H2,1H3,(H3,13,14,15,16,17)
  • InChiKey: DMMOTRGCROXJNV-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
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0353 0.0348 0.5134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0345 0.0336 0.496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.9539
Trichomonas vaginalis PIKK family atypical protein kinase 0.0546 0.0633 0.9335
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.033 0.0313 0.4621
Toxoplasma gondii target of rapamycin (TOR), putative 0.0565 0.066 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0577 0.0678 0.201
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0598 0.0709 0.2102
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Onchocerca volvulus 0.0118 0 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0235 0.0174 0.2565
Brugia malayi FAT domain containing protein 0.0232 0.0168 0.2373
Loa Loa (eye worm) hypothetical protein 0.0315 0.0291 0.385
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.0373 0.55
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0315 0.0291 0.0863
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.017 0.0077 0.0218
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.017 0.0077 0.1141
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0577 0.0678 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0336 0.0322 0.4543
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0546 0.0633 0.9335
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0598 0.0709 0.0709
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0118 0 0.0001
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.017 0.0077 0.0077
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.033 0.0313 0.0929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0546 0.0633 0.9335
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0519 0.0593 0.8742
Echinococcus granulosus serine protein kinase ATM 0.033 0.0313 0.0313
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.017 0.0077 0.1141
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0557 0.0649 0.9574
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0235 0.0174 0.2454
Leishmania major hypothetical protein, conserved 0.2521 0.3545 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.017 0.0077 0.1141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0127 0.0014 0.0204
Loa Loa (eye worm) hypothetical protein 0.0183 0.0097 0.1285
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0315 0.0291 0.4109
Echinococcus multilocularis serine protein kinase ATM 0.033 0.0313 0.0313
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0419 0.0444 0.6558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0315 0.0291 0.4295
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0598 0.0709 0.2102
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0577 0.0678 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0519 0.0593 0.8362
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0568 0.0664 0.9796
Mycobacterium leprae conserved hypothetical protein 0.0118 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0568 0.0664 0.9795
Trichomonas vaginalis PIKK family atypical protein kinase 0.0568 0.0664 0.9795
Trichomonas vaginalis PIKK family atypical protein kinase 0.0558 0.065 0.9592
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0577 0.0678 0.7948
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.017 0.0077 0.1141
Onchocerca volvulus 0.0118 0 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0577 0.0678 0.1912
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0336 0.0322 0.0322
Loa Loa (eye worm) phosphatidylinositol 3 0.0557 0.0649 0.8581
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0176 0.0087 0.1224
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.017 0.0077 0.0229
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.017 0.0077 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0577 0.0678 0.1912
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0568 0.0664 0.1873
Trypanosoma cruzi target of rapamycin kinase 3 0.0568 0.0664 0.1969
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0336 0.0322 0.0322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.0319 0.4704
Loa Loa (eye worm) phosphatidylinositol 3 0.0577 0.0678 0.8963
Entamoeba histolytica protein kinase rad3, putative 0.0315 0.0291 0.4295
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0519 0.0593 0.1757
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0519 0.0593 0.8742
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0598 0.0709 0.8309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.0319 0.4704
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0598 0.0709 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0598 0.0709 0.0709
Loa Loa (eye worm) hypothetical protein 0.0232 0.0168 0.2223
Schistosoma mansoni phosphatidylinositol 4-kinase 0.017 0.0077 0.0907
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0235 0.0174 0.2565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0326 0.0307 0.4534
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0235 0.0174 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0197 0.0118 0.1736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0315 0.0291 0.0291
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0577 0.0678 0.0678
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.017 0.0077 0.1171
Trichomonas vaginalis PIKK family atypical protein kinase 0.0568 0.0664 0.9795
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.033 0.0313 0.3673
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.017 0.0077 0.1141
Trichomonas vaginalis PIKK family atypical protein kinase 0.033 0.0313 0.4621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.0322 0.4755
Schistosoma mansoni hypothetical protein 0.0232 0.0168 0.1972
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0315 0.0291 0.0291
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0577 0.0678 0.9565
Loa Loa (eye worm) hypothetical protein 0.0349 0.0342 0.4517
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.017 0.0077 0.1023
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0577 0.0678 0.0678
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0235 0.0174 0.2565
Giardia lamblia GTOR 0.0577 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0336 0.0322 0.4257
Schistosoma mansoni fkbp-rapamycin associated protein 0.0315 0.0291 0.3414
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.954
Trichomonas vaginalis conserved hypothetical protein 0.0349 0.0342 0.504
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0696 0.0853 0.0853
Leishmania major phosphatidylinositol 3-kinase, putative 0.0546 0.0633 0.1785
Leishmania major phosphatidylinositol kinase related protein, putative 0.0133 0.0022 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0678 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0402 0.0419 0.6183
Toxoplasma gondii FATC domain-containing protein 0.033 0.0313 0.4743
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.0649 0.9574
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.017 0.0077 0.0077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.9539
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0235 0.0174 0.2039
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0519 0.0593 0.1757
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.6896 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0235 0.0174 0.2565
Trichomonas vaginalis conserved hypothetical protein 0.0232 0.0168 0.2481
Mycobacterium tuberculosis Conserved hypothetical protein 0.0118 0 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0232 0.0168 0.0168
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0359 0.0355 0.5245
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.014 0.1848
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0557 0.0649 0.183
Trichomonas vaginalis PIKK family atypical protein kinase 0.0568 0.0664 0.9795
Trichomonas vaginalis PIKK family atypical protein kinase 0.0546 0.0633 0.9335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.954
Loa Loa (eye worm) phosphatidylinositol 3 0.063 0.0756 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0454 0.0496 0.7318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.954
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0232 0.0168 0.0168
Trypanosoma cruzi hypothetical protein, conserved 0.2403 0.3372 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0183 0.0097 0.1424
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0519 0.0593 0.8742
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.017 0.0077 0.0907
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0546 0.0633 0.9335
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0235 0.0174 0.2565
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.017 0.0077 0.0229
Trichomonas vaginalis PIKK family atypical protein kinase 0.0568 0.0664 0.9795
Trichomonas vaginalis PIKK family atypical protein kinase 0.0326 0.0307 0.4534
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0519 0.0593 0.8742
Entamoeba histolytica hypothetical protein 0.033 0.0313 0.4621
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.033 0.0313 0.442
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0577 0.0678 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.017 0.0077 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0212 0.014 0.0414
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0696 0.0853 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0118 0 0.0005
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0133 0.0022 0.0065
Entamoeba histolytica hypothetical protein 0.0454 0.0496 0.7318
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0419 0.0444 0.6558
Trichomonas vaginalis PIKK family atypical protein kinase 0.0197 0.0118 0.1736
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0577 0.0678 0.201
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.0319 0.4704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0565 0.066 0.9744
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.017 0.0077 0.1091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.9539
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0349 0.0342 0.5173
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0678 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.017 0.0077 0.0077
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.017 0.0077 0.1141
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0696 0.0853 0.0853
Leishmania major phosphatidylinositol 3-kinase, putative 0.017 0.0077 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0556 0.0647 0.954
Echinococcus multilocularis Zinc finger, PHD finger 0.017 0.0077 0.0077
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.027 0.0225 0.3325
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0235 0.0174 0.2565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0558 0.065 0.9592
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.017 0.0077 0.1171
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0577 0.0678 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0136 0.0028 0.0408

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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