Detailed information for compound 1641552

Basic information

Technical information
  • TDR Targets ID: 1641552
  • Name: NCI60_037913
  • MW: 349.426 | Formula: C20H17N2O2S+
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1ccccc1[S+]1N(C)C(=O)c2c3c1cccc3ccc2
  • InChi: 1S/C20H16N2O2S/c1-21-19(23)14-9-3-4-11-16(14)25-17-12-6-8-13-7-5-10-15(18(13)17)20(24)22(25)2/h3-12H,1-2H3/p+1
  • InChiKey: XUQZYRBHLZJEBR-UHFFFAOYSA-O  


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) phosphatidylinositol 3 0.191 0.3212 0.3197
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.039 0.0401 0.0401
Trichomonas vaginalis PIKK family atypical protein kinase 0.5579 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.039 0.0401 0.0379
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.039 0.0401 0.0379
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.039 0.0401 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4753 0.8473 0.8473
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.037 0.0364 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.4446 0.7904 0.7904
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.039 0.0401 0.0038
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2631 0.4547 0.4341
Entamoeba histolytica hypothetical protein 0.037 0.0364 0.0333
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0492 0.0589 0.0567
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0561 0.0717 0.0717
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.037 0.0364 0.0364
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1073 0.1665 0.1351
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1073 0.1665 0.1665
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.0364 0.0364
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.039 0.0401 0.04
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.5579 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.043 0.0475 0.0475
Mycobacterium tuberculosis Conserved hypothetical protein 0.037 0.0364 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3032 0.5288 0.5288
Trichomonas vaginalis conserved hypothetical protein 0.0703 0.0981 0.0981
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Toxoplasma gondii FATC domain-containing protein 0.1073 0.1665 0.1856
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.191 0.3212 0.2956
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.039 0.0401 0.0369
Trichomonas vaginalis PIKK family atypical protein kinase 0.3032 0.5288 0.5288
Trichomonas vaginalis PIKK family atypical protein kinase 0.4446 0.7904 0.7904
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.043 0.0475 0.0475
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0825 0.1207 0.1186
Trichomonas vaginalis PIKK family atypical protein kinase 0.3318 0.5817 0.5817
Trichomonas vaginalis PIKK family atypical protein kinase 0.1498 0.2451 0.2451
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.039 0.0401 0.0379
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0734 0.1038 0.1017
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.039 0.0401 0.04
Entamoeba histolytica hypothetical protein 0.037 0.0364 0.0333
Loa Loa (eye worm) hypothetical protein 0.1128 0.1767 0.1748
Loa Loa (eye worm) phosphatidylinositol 3 0.0694 0.0963 0.0943
Trichomonas vaginalis PIKK family atypical protein kinase 0.3621 0.6377 0.6377
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0499 0.0603 0.0603
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1899 0.3192 0.2935
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.043 0.0475 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.191 0.3212 0.3212
Trichomonas vaginalis PIKK family atypical protein kinase 0.5579 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1073 0.1665 0.1638
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.041 0.0438 0.0077
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.5579 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0451 0.0515 0.0484
Onchocerca volvulus 0.037 0.0364 0.5
Loa Loa (eye worm) hypothetical protein 0.0492 0.0589 0.0567
Loa Loa (eye worm) hypothetical protein 0.1195 0.1891 0.1872
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.5579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3335 0.5848 0.5848
Trichomonas vaginalis PIKK family atypical protein kinase 0.1899 0.3192 0.3192
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1949 0.3286 0.3286
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1949 0.3286 0.327
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.043 0.0475 0.0444
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.5579 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.043 0.0475 0.0444
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1073 0.1665 0.1665
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.037 0.0364 0.0342
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1073 0.1665 0.1351
Trichomonas vaginalis PIKK family atypical protein kinase 0.4446 0.7904 0.7904
Loa Loa (eye worm) phosphatidylinositol 3 0.5579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1899 0.3192 0.3192
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1073 0.1665 0.1646
Loa Loa (eye worm) phosphatidylinositol 3 0.037 0.0364 0.0342
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1949 0.3286 0.3249
Leishmania major phosphatidylinositol 3-kinase, putative 0.039 0.0401 0.0038
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.0364 0.0364
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1949 0.3286 0.3032
Leishmania major hypothetical protein, conserved 0.0461 0.0533 0.0175
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1949 0.3286 0.327
Brugia malayi FAT domain containing protein 0.0825 0.1207 0.1207
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.037 0.0364 0.0364
Schistosoma mansoni fkbp-rapamycin associated protein 0.1073 0.1665 0.162
Loa Loa (eye worm) hypothetical protein 0.037 0.0364 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.4446 0.7904 0.7904
Schistosoma mansoni phosphatidylinositol 4-kinase 0.037 0.0364 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.1073 0.1665 0.1665
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.043 0.0475 0.0475
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0561 0.0717 0.0717
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0627 0.084 0.0819
Trichomonas vaginalis PIKK family atypical protein kinase 0.3032 0.5288 0.5288
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1073 0.1665 0.162
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0521 0.0643 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.5579 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.039 0.0401 0.0038
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.037 0.0364 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.3318 0.5817 0.5817
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.043 0.0475 0.0475
Trichomonas vaginalis PIKK family atypical protein kinase 0.0703 0.0981 0.0981
Entamoeba histolytica hypothetical protein 0.0521 0.0643 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.3027 0.528 0.528
Plasmodium falciparum phosphatidylinositol 3-kinase 0.039 0.0401 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0734 0.1038 0.1017
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.039 0.0401 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.3335 0.5848 0.5848
Trichomonas vaginalis conserved hypothetical protein 0.0825 0.1207 0.1206
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0561 0.0717 0.0717
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4451 0.7913 0.7834
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0825 0.1207 0.1186
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1195 0.1891 0.2178
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.5579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1084 0.1685 0.1685
Loa Loa (eye worm) phosphatidylinositol kinase 0.037 0.0364 0.0342
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0561 0.0717 0.0687
Loa Loa (eye worm) phosphatidylinositol 3 0.037 0.0364 0.0342
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.037 0.0364 0.0342
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.043 0.0475 0.0115
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0492 0.0589 0.0567
Schistosoma mansoni hypothetical protein 0.037 0.0364 0.0311
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.5579 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.5579 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4451 0.7913 0.7834
Loa Loa (eye worm) hypothetical protein 0.0825 0.1207 0.1186
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1073 0.1665 0.1646
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Trichomonas vaginalis PIKK family atypical protein kinase 0.3743 0.6603 0.6603
Trichomonas vaginalis PIKK family atypical protein kinase 0.3027 0.528 0.528
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Trichomonas vaginalis PIKK family atypical protein kinase 0.3335 0.5848 0.5848
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.037 0.0364 0.0333
Toxoplasma gondii target of rapamycin (TOR), putative 0.416 0.7375 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.037 0.0364 0.0364
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.039 0.0401 0.0348
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.039 0.0401 0.0038
Echinococcus granulosus serine protein kinase ATM 0.1073 0.1665 0.1646
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.037 0.0364 0.0342
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.039 0.0401 0.0379
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1949 0.3286 0.3032
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.039 0.0401 0.0052
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.5579 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.037 0.0364 0.0342
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0734 0.1038 0.0989
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.037 0.0364 0.0364
Entamoeba histolytica hypothetical protein 0.1073 0.1665 0.1638
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0561 0.0717 0.0366
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0561 0.0717 0.0366
Trichomonas vaginalis conserved hypothetical protein 0.1195 0.1891 0.1891
Giardia lamblia GTOR 0.5579 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.4451 0.7913 0.7834
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0499 0.0603 0.0603
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2328 0.3987 0.376
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.037 0.0364 0.0311
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1084 0.1685 0.1658
Leishmania major phosphatidylinositol 3-kinase, putative 0.1899 0.3192 0.2935
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.039 0.0401 0.0379
Schistosoma mansoni hypothetical protein 0.0825 0.1207 0.1158
Entamoeba histolytica hypothetical protein 0.037 0.0364 0.0333
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.043 0.0475 0.0115
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.039 0.0401 0.0369
Trichomonas vaginalis PIKK family atypical protein kinase 0.5579 1 1
Loa Loa (eye worm) hypothetical protein 0.0703 0.0981 0.096
Mycobacterium leprae conserved hypothetical protein 0.037 0.0364 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.039 0.0401 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.1899 0.3192 0.3192
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.5579 1 1
Onchocerca volvulus 0.037 0.0364 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1073 0.1665 0.1351
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0459 0.0529 0.0171
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0561 0.0717 0.0717
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0492 0.0589 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.416 0.7375 0.7375
Trichomonas vaginalis PIKK family atypical protein kinase 0.1073 0.1665 0.1665
Schistosoma mansoni phosphatidylinositol 4-kinase 0.039 0.0401 0.0348
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.039 0.0401 0.0038
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0627 0.084 0.0819
Loa Loa (eye worm) phosphatidylinositol 3 0.037 0.0364 0.0342
Trichomonas vaginalis PIKK family atypical protein kinase 0.1899 0.3192 0.3192
Loa Loa (eye worm) hypothetical protein 0.1073 0.1665 0.1646
Leishmania major phosphatidylinositol 3-related kinase, putative 0.191 0.3212 0.2956
Echinococcus multilocularis serine protein kinase ATM 0.1073 0.1665 0.1646
Echinococcus multilocularis 0.037 0.0364 0.0342
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.5579 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.037 0.0364 0.0364
Trichomonas vaginalis PIKK family atypical protein kinase 0.3027 0.528 0.528
Trichomonas vaginalis PIKK family atypical protein kinase 0.3032 0.5288 0.5288
Trichomonas vaginalis PIKK family atypical protein kinase 0.4446 0.7904 0.7904
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0186 0.0023 0.0023
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0703 0.0981 0.064
Loa Loa (eye worm) phosphatidylinositol 3 0.037 0.0364 0.0342

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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