Detailed information for compound 1647160

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 192.258 | Formula: C11H16N2O
  • H donors: 1 H acceptors: 1 LogP: 1.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)C/N=C/N(C)C
  • InChi: 1S/C11H16N2O/c1-13(2)9-12-8-11(14)10-6-4-3-5-7-10/h3-7,9,11,14H,8H2,1-2H3/b12-9+
  • InChiKey: QMJISUCYXPYHBZ-FMIVXFBMSA-N  

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, class 3 0.0471 0.051 0.0074
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6441 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.6441 1 1
Entamoeba histolytica protein kinase rad3, putative 0.1239 0.173 0.1649
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0493 0.0545 0.0506
Trichomonas vaginalis PIKK family atypical protein kinase 0.2203 0.3263 0.3263
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.057 0.0667 0.0667
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2191 0.3244 0.2934
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.083 0.108 0.1065
Entamoeba histolytica hypothetical protein 0.0427 0.0439 0.0346
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0449 0.0474 0.0474
Trichomonas vaginalis PIKK family atypical protein kinase 0.418 0.6406 0.6406
Loa Loa (eye worm) phosphatidylinositol 3 0.0786 0.101 0.0994
Loa Loa (eye worm) hypothetical protein 0.1303 0.1832 0.1818
Trichomonas vaginalis PIKK family atypical protein kinase 0.3829 0.5849 0.5849
Trichomonas vaginalis PIKK family atypical protein kinase 0.173 0.2511 0.2511
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0449 0.0474 0.0458
Trichomonas vaginalis PIKK family atypical protein kinase 0.5133 0.792 0.792
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0493 0.0545 0.0545
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0953 0.1275 0.126
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0449 0.0474 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5324 0.5324
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1239 0.173 0.1716
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2203 0.3263 0.2953
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0449 0.0474 0.0474
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6441 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0427 0.0439 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0493 0.0545 0.0529
Trichomonas vaginalis conserved hypothetical protein 0.0812 0.1051 0.1051
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5324 0.5324
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0427 0.0439 0.0439
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1239 0.173 0.135
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1239 0.173 0.1716
Trichomonas vaginalis PIKK family atypical protein kinase 0.0427 0.0439 0.0439
Entamoeba histolytica hypothetical protein 0.0427 0.0439 0.0346
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0561 0.0653 0.0637
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0638 0.0775 0.0775
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0427 0.0439 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.5133 0.792 0.792
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0474 0.0036
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3038 0.459 0.4342
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0449 0.0474 0.0458
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0449 0.0474 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5488 0.8486 0.8486
Loa Loa (eye worm) phosphatidylinositol 3 0.2203 0.3263 0.3251
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0449 0.0474 0.0458
Echinococcus multilocularis Zinc finger, PHD finger 0.0449 0.0474 0.0458
Trichomonas vaginalis PIKK family atypical protein kinase 0.6441 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0638 0.0775 0.076
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5138 0.7928 0.7833
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.083 0.108 0.1065
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0449 0.0474 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0449 0.0474 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0953 0.1275 0.1275
Trichomonas vaginalis PIKK family atypical protein kinase 0.385 0.5881 0.5881
Entamoeba histolytica hypothetical protein 0.0594 0.0704 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0812 0.1051 0.1051
Trichomonas vaginalis PIKK family atypical protein kinase 0.3494 0.5315 0.5315
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0427 0.0439 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.3829 0.5849 0.5849
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0493 0.0545 0.0545
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0594 0.0704 0.0614
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6441 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0474 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5324 0.5324
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0712 0.0892 0.0877
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1239 0.173 0.1716
Trichomonas vaginalis PIKK family atypical protein kinase 0.5133 0.792 0.792
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0427 0.0439 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.1239 0.173 0.173
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0493 0.0545 0.0545
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0638 0.0775 0.0775
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0427 0.0439 0.0439
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1239 0.173 0.1696
Loa Loa (eye worm) hypothetical protein 0.0427 0.0439 0.0423
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2247 0.3333 0.3322
Brugia malayi FAT domain containing protein 0.0953 0.1275 0.126
Leishmania major phosphatidylinositol 3-kinase, putative 0.0449 0.0474 0.0036
Leishmania major hypothetical protein, conserved 0.0528 0.06 0.0168
Trichomonas vaginalis PIKK family atypical protein kinase 0.0427 0.0439 0.0439
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2247 0.3333 0.3027
Schistosoma mansoni fkbp-rapamycin associated protein 0.1239 0.173 0.1696
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2247 0.3333 0.3306
Loa Loa (eye worm) phosphatidylinositol 3 0.0427 0.0439 0.0423
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0427 0.0439 0.0423
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1239 0.173 0.135
Trichomonas vaginalis PIKK family atypical protein kinase 0.5133 0.792 0.792
Loa Loa (eye worm) phosphatidylinositol 3 0.6441 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2191 0.3244 0.3244
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6441 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0493 0.0545 0.0452
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0493 0.0545 0.0452
Echinococcus multilocularis serine protein kinase ATM 0.1239 0.173 0.1716
Trichomonas vaginalis PIKK family atypical protein kinase 0.385 0.5881 0.5881
Trichomonas vaginalis PIKK family atypical protein kinase 0.2191 0.3244 0.3244
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2247 0.3333 0.3322
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2247 0.3333 0.3322
Loa Loa (eye worm) hypothetical protein 0.1379 0.1953 0.194
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6441 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0517 0.0582 0.049
Onchocerca volvulus 0.0427 0.0439 0.5
Loa Loa (eye worm) hypothetical protein 0.0561 0.0653 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.1379 0.1953 0.1953
Giardia lamblia GTOR 0.6441 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.5138 0.7928 0.7833
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0638 0.0775 0.0352
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.083 0.108 0.1044
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0427 0.0439 0.0423
Entamoeba histolytica hypothetical protein 0.1239 0.173 0.1649
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0638 0.0775 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0427 0.0439 0.0423
Echinococcus granulosus serine protein kinase ATM 0.1239 0.173 0.1716
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0449 0.0474 0.0458
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2247 0.3333 0.3027
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0427 0.0439 0.0423
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6441 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0449 0.0474 0.005
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0449 0.0474 0.0435
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0474 0.0036
Toxoplasma gondii target of rapamycin (TOR), putative 0.4802 0.7395 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0427 0.0439 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.3494 0.5315 0.5315
Trichomonas vaginalis PIKK family atypical protein kinase 0.385 0.5881 0.5881
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0427 0.0439 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.1239 0.173 0.173
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Trichomonas vaginalis PIKK family atypical protein kinase 0.4321 0.663 0.663
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5138 0.7928 0.7833
Loa Loa (eye worm) hypothetical protein 0.0953 0.1275 0.126
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6441 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6441 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0427 0.0439 0.0423
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0493 0.0545 0.011
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0561 0.0653 0.0637
Schistosoma mansoni hypothetical protein 0.0427 0.0439 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.1749 0.1749
Loa Loa (eye worm) phosphatidylinositol kinase 0.0427 0.0439 0.0423
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0638 0.0775 0.0685
Loa Loa (eye worm) phosphatidylinositol 3 0.0427 0.0439 0.0423
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0953 0.1275 0.126
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1379 0.1953 0.2177
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6441 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.5133 0.792 0.792
Trichomonas vaginalis PIKK family atypical protein kinase 0.3499 0.5324 0.5324
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0192 0.0066 0.0049
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0812 0.1051 0.064
Loa Loa (eye worm) phosphatidylinositol 3 0.0427 0.0439 0.0423
Echinococcus multilocularis 0.0427 0.0439 0.0423
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6441 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3494 0.5315 0.5315
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0427 0.0439 0.0423
Loa Loa (eye worm) hypothetical protein 0.1239 0.173 0.1716
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2203 0.3263 0.2953
Toxoplasma gondii FATC domain-containing protein 0.1239 0.173 0.1855
Loa Loa (eye worm) phosphatidylinositol 3 0.0427 0.0439 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.2191 0.3244 0.3244
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0474 0.0036
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0712 0.0892 0.0877
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1239 0.173 0.1716
Trichomonas vaginalis PIKK family atypical protein kinase 0.4802 0.7395 0.7395
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0449 0.0474 0.0435
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0525 0.0596 0.0164
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0638 0.0775 0.0775
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0561 0.0653 0.0637
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1239 0.173 0.135
Onchocerca volvulus 0.0427 0.0439 0.5
Mycobacterium leprae conserved hypothetical protein 0.0427 0.0439 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0449 0.0474 0.0474
Trichomonas vaginalis PIKK family atypical protein kinase 0.2191 0.3244 0.3244
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6441 1 1
Loa Loa (eye worm) hypothetical protein 0.0812 0.1051 0.1036
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0449 0.0474 0.0381
Trichomonas vaginalis PIKK family atypical protein kinase 0.6441 1 1
Entamoeba histolytica hypothetical protein 0.0427 0.0439 0.0346
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0493 0.0545 0.011
Leishmania major phosphatidylinositol 3-kinase, putative 0.2191 0.3244 0.2934
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.125 0.1749 0.1668
Schistosoma mansoni hypothetical protein 0.0953 0.1275 0.124
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0449 0.0474 0.0458
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2688 0.4033 0.3759
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.057 0.0667 0.0667
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0427 0.0439 0.04

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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