Detailed information for compound 1467381

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 299.368 | Formula: C17H21N3O2
  • H donors: 0 H acceptors: 3 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1noc(n1)N(C1CCCCC1)C(=O)C
  • InChi: 1S/C17H21N3O2/c1-12-8-10-14(11-9-12)16-18-17(22-19-16)20(13(2)21)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3
  • InChiKey: BTOPZZYAOOUYEG-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
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0492 0.0615 0.9015
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.6338 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0221 0.018 0.2645
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0168 0.2464
Loa Loa (eye worm) phosphatidylinositol 3 0.0112 0.0005 0.007
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0214 0.0168 0.0168
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0334 0.0361 0.5294
Loa Loa (eye worm) hypothetical protein 0.0196 0.014 0.1788
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0534 0.0682 0.7707
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0515 0.0652 0.9561
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0525 0.0667 0.1883
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0635 0.9315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9526
Trichomonas vaginalis conserved hypothetical protein 0.0322 0.0343 0.5029
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.066 0.0885 0.0885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0635 0.9315
Leishmania major phosphatidylinositol kinase related protein, putative 0.0123 0.0023 0.0065
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0534 0.0682 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0383 0.044 0.645
Toxoplasma gondii FATC domain-containing protein 0.0305 0.0315 0.4747
Loa Loa (eye worm) phosphatidylinositol 3 0.0515 0.0652 0.831
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0159 0.008 0.008
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0221 0.018 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0317 0.0334 0.4678
Loa Loa (eye worm) hypothetical protein 0.0214 0.0168 0.2141
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0291 0.0292 0.4094
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0534 0.0682 0.1923
Loa Loa (eye worm) hypothetical protein 0.0322 0.0343 0.4371
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0159 0.008 1
Giardia lamblia GTOR 0.0534 0.0682 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0221 0.018 0.2645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.0334 0.4257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0291 0.0292 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0221 0.018 0.2645
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0301 0.0309 0.4532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0117 0.1721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0291 0.0292 0.0292
Loa Loa (eye worm) phosphatidylinositol 3 0.0534 0.0682 0.8691
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0159 0.008 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0305 0.0315 0.4622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0667 0.9789
Entamoeba histolytica hypothetical protein 0.0305 0.0315 0.4622
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0159 0.008 0.1176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0159 0.008 0.1023
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0159 0.008 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0159 0.008 0.1176
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.066 0.0885 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9525
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0159 0.008 0.1176
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0255 0.0234 0.3429
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0221 0.018 0.2645
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.0653 0.9579
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0159 0.008 0.1176
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0127 0.0029 0.0421
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0534 0.0682 0.0682
Toxoplasma gondii target of rapamycin (TOR), putative 0.0522 0.0664 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0305 0.0315 0.3562
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0534 0.0682 0.2023
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0159 0.008 0.1176
Mycobacterium tuberculosis Conserved hypothetical protein 0.0109 0 0.5
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.066 0.0885 0.0885
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0196 0.014 0.0416
Entamoeba histolytica hypothetical protein 0.0429 0.0514 0.7546
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0123 0.0023 0.0068
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0396 0.0461 0.6763
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0534 0.0682 0.1923
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0159 0.008 0.1124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0117 0.1721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9526
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0322 0.0343 0.5165
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0492 0.0615 0.1824
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0159 0.008 0.0238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0504 0.0635 0.9315
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0221 0.018 0.2645
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0159 0.008 0.0907
Trichomonas vaginalis PIKK family atypical protein kinase 0.0301 0.0309 0.4532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0667 0.9789
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0492 0.0615 0.8612
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0305 0.0315 0.0935
Loa Loa (eye worm) phosphatidylinositol 3 0.0598 0.0784 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0429 0.0514 0.7546
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0214 0.0168 0.0168
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9525
Trypanosoma cruzi hypothetical protein, conserved 0.2208 0.337 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0171 0.01 0.1469
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0492 0.0615 0.1824
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0635 0.9315
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0159 0.008 0.1208
Echinococcus granulosus serine protein kinase ATM 0.0305 0.0315 0.0315
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0515 0.0652 0.1839
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0221 0.018 0.2039
Leishmania major hypothetical protein, conserved 0.2317 0.3545 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0159 0.008 0.1176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0014 0.021
Loa Loa (eye worm) hypothetical protein 0.0175 0.0106 0.1349
Leishmania major phosphatidylinositol 3-kinase, putative 0.0504 0.0635 0.1791
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0553 0.0714 0.8069
Onchocerca volvulus 0.0109 0 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0159 0.008 0.0226
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0305 0.0315 0.4415
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0221 0.018 0.2645
Brugia malayi FAT domain containing protein 0.0214 0.0168 0.2354
Loa Loa (eye worm) hypothetical protein 0.0291 0.0292 0.3725
Trichomonas vaginalis PIKK family atypical protein kinase 0.0343 0.0375 0.5503
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0291 0.0292 0.0867
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0159 0.008 0.0226
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0159 0.008 0.0238
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0317 0.0334 0.0334
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0534 0.0682 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0331 0.0357 0.524
Trichomonas vaginalis PIKK family atypical protein kinase 0.032 0.0339 0.4971
Trichomonas vaginalis PIKK family atypical protein kinase 0.0513 0.0649 0.9526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.0635 0.9315
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0305 0.0315 0.4622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0534 0.0682 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0553 0.0714 0.2118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0522 0.0664 0.9736
Onchocerca volvulus 0.0109 0 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0291 0.0292 0.4286
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0492 0.0615 0.9015
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0492 0.0615 0.9015
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0553 0.0714 0.0714
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0553 0.0714 0.2118
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0553 0.0714 0.0714
Schistosoma mansoni hypothetical protein 0.0214 0.0168 0.1899
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0159 0.008 0.0907
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 0.018 0.2527
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0534 0.0682 0.2023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0667 0.9789
Trypanosoma cruzi target of rapamycin kinase 3 0.0525 0.0667 0.198
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0317 0.0334 0.0334
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0534 0.0682 0.9552
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0667 0.9789
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0525 0.0667 0.979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0667 0.9789
Mycobacterium leprae conserved hypothetical protein 0.0109 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.0653 0.9579
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0159 0.008 0.008
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0534 0.0682 0.0682
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0534 0.0682 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0325 0.476
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0112 0.0005 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0515 0.0652 0.9561
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0168 0.0095 0.1332
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0159 0.008 0.1208
Echinococcus multilocularis Zinc finger, PHD finger 0.0159 0.008 0.008
Schistosoma mansoni fkbp-rapamycin associated protein 0.0291 0.0292 0.3303
Echinococcus multilocularis serine protein kinase ATM 0.0305 0.0315 0.0315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0291 0.0292 0.4286
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0396 0.0461 0.6763
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0553 0.0714 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0492 0.0615 0.9015

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 25.5 % Inhibition of soybean lipoxygenase at 100 uM by UV spectrophotometry ChEMBL. 20888086

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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