Detailed information for compound 1315901

Basic information

Technical information
  • TDR Targets ID: 1315901
  • Name: MLS000772583
  • MW: 308.692 | Formula: C14H10ClFN2O3
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccnc1Cl)COC(=O)c1cccc(c1)F
  • InChi: 1S/C14H10ClFN2O3/c15-13-11(5-2-6-17-13)18-12(19)8-21-14(20)9-3-1-4-10(16)7-9/h1-7H,8H2,(H,18,19)
  • InChiKey: ZCZKAMBXXCOXDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000377227
  • T5275657

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
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.02 0.0697 0.0371
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.1371 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1371 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0282 0.1346 0.1274
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0262 0.1187 0.1114
Trichomonas vaginalis PIKK family atypical protein kinase 0.1171 0.8411 0.8398
Entamoeba histolytica hypothetical protein 0.017 0.0459 0.038
Trichomonas vaginalis PIKK family atypical protein kinase 0.1091 0.7776 0.7758
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.065 0.4272 0.4224
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1371 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1371 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0155 0.0338 0.0258
Trichomonas vaginalis PIKK family atypical protein kinase 0.0262 0.1187 0.1114
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Echinococcus multilocularis serine protein kinase ATM 0.0262 0.1187 0.0879
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1371 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0191 0.0626 0.0549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.5 0.4959
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0262 0.1187 0.1114
Trypanosoma cruzi target of rapamycin kinase 3 0.1093 0.7785 0.7767
Loa Loa (eye worm) hypothetical protein 0.02 0.0697 0.0371
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0462 0.2777 0.2717
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0262 0.1187 0.1114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.5 0.4959
Trichomonas vaginalis PIKK family atypical protein kinase 0.1091 0.7776 0.7758
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 0.1179 0.087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0921 0.6422 0.6392
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0813 0.5561 0.5525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.4991 0.495
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.5626 0.559
Toxoplasma gondii target of rapamycin (TOR), putative 0.1021 0.7215 1
Loa Loa (eye worm) hypothetical protein 0.0291 0.1422 0.1122
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0191 0.0626 0.0549
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0282 0.1346 0.1043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0891 0.6187 0.6155
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0191 0.0626 0.0549
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0262 0.1187 0.1114
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0462 0.2777 0.2717
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1371 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0171 0.0462 0.0383
Schistosoma mansoni fkbp-rapamycin associated protein 0.0262 0.1187 0.1114
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0462 0.2777 0.2524
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0191 0.0626 0.0549
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0262 0.1187 0.0879
Trichomonas vaginalis PIKK family atypical protein kinase 0.1371 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0159 0.037 0.029
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1371 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0291 0.1422 0.1351
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1093 0.7785 0.6934
Loa Loa (eye worm) phosphatidylinositol 3 0.1371 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0571 0.3646 0.3593
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1371 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0282 0.1346 0.1043
Trichomonas vaginalis conserved hypothetical protein 0.02 0.0697 0.062
Loa Loa (eye worm) hypothetical protein 0.0279 0.1322 0.1019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.5626 0.559
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0462 0.2777 0.2717
Loa Loa (eye worm) phosphatidylinositol 3 0.0462 0.2777 0.2524
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1371 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0262 0.1187 0.1114
Giardia lamblia GTOR 0.1371 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0262 0.1187 0.1114
Trichomonas vaginalis PIKK family atypical protein kinase 0.1091 0.7776 0.7758
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0191 0.0626 0.0549
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.2048 0.1982
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1371 1 1
Entamoeba histolytica hypothetical protein 0.0262 0.1187 0.1114
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1371 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2777 0.2717
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2777 0.2717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.2777 0.2717
Brugia malayi FAT domain containing protein 0.02 0.0697 0.062
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0262 0.1187 0.1114
Loa Loa (eye worm) hypothetical protein 0.0262 0.1187 0.0879
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.0462 0.0383
Trichomonas vaginalis PIKK family atypical protein kinase 0.1091 0.7776 0.7758
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.017 0.0459 0.038
Echinococcus granulosus serine protein kinase ATM 0.0262 0.1187 0.0879
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0262 0.1187 0.0879
Loa Loa (eye worm) hypothetical protein 0.0171 0.0462 0.0128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.5 0.4959
Trichomonas vaginalis PIKK family atypical protein kinase 0.0262 0.1187 0.1114
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1371 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1021 0.7215 0.7192
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0138 0.0203 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0171 0.0462 0.0383
Trichomonas vaginalis PIKK family atypical protein kinase 0.0813 0.5561 0.5525
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0291 0.1422 0.039
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0462 0.2777 0.2524
Entamoeba histolytica protein kinase rad3, putative 0.0262 0.1187 0.1114
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0191 0.0626 0.0549
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0134 0.0171 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.4991 0.495
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0262 0.1187 0.1114
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.02 0.0697 0.0371
Schistosoma mansoni hypothetical protein 0.02 0.0697 0.062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0821 0.5626 0.559
Trichomonas vaginalis PIKK family atypical protein kinase 0.0741 0.4991 0.495
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1371 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1093 0.7785 0.7767
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.5 0.4959
Trichomonas vaginalis PIKK family atypical protein kinase 0.1091 0.7776 0.7758
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0159 0.037 0.029
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0191 0.0626 0.0549

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.