Detailed information for compound 1624361

Basic information

Technical information
  • TDR Targets ID: 1624361
  • Name: ethyl N-[2-[2-(2,4-dinitrophenyl)hydrazinyl]- 1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
  • MW: 435.236 | Formula: C12H11F6N5O6
  • H donors: 3 H acceptors: 5 LogP: 4.17 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
  • InChi: 1S/C12H11F6N5O6/c1-2-29-9(24)19-10(11(13,14)15,12(16,17)18)21-20-7-4-3-6(22(25)26)5-8(7)23(27)28/h3-5,20-21H,2H2,1H3,(H,19,24)
  • InChiKey: BGMZESBARBRCDX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl N-[1-[N'-(2,4-dinitrophenyl)hydrazino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
  • N-[1-[N'-(2,4-dinitrophenyl)hydrazino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamic acid ethyl ester
  • ethyl N-[2-[2-(2,4-dinitrophenyl)hydrazinyl]-1,1,1,3,3,3-hexafluoro-propan-2-yl]carbamate
  • AIDS146037
  • Ethyl 1-(2-(2,4-bis(hydroxy(oxido)amino)phenyl)hydrazino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate
  • NSC672005
  • NCI60_025501
  • AIDS-146037

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
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0114 0.0487 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0593 0.3241 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1046 0.5847 0.5634
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.3241 0.2895
Onchocerca volvulus 0.0114 0.0487 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1147 0.6432 0.625
Trichomonas vaginalis conserved hypothetical protein 0.0372 0.1974 0.1563
Brugia malayi hypothetical protein 0.0178 0.0853 0.0853
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0114 0.0487 0.0487
Onchocerca volvulus 0.0039 0.0057 0.1161
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0258 0.1318 0.1318
Loa Loa (eye worm) hypothetical protein 0.0334 0.1754 0.1754
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1768 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.3241 0.2895
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1768 1 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0114 0.0487 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1509 0.8513 0.8437
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0114 0.0487 0.0487
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1768 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0593 0.3241 0.2895
Onchocerca volvulus 0.0114 0.0487 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0114 0.0487 0.0487
Echinococcus multilocularis transfer RNA-Lys 0.0039 0.0057 0.0057
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0882 0.4907 0.4907
Trichomonas vaginalis PIKK family atypical protein kinase 0.1406 0.7919 0.7813
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0114 0.0487 0.0487
Toxoplasma gondii target of rapamycin (TOR), putative 0.1315 0.7394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0954 0.5322 0.5082
Loa Loa (eye worm) hypothetical protein 0.022 0.1098 0.1098
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0114 0.0487 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0053 0.0136 0.0136
Trichomonas vaginalis PIKK family atypical protein kinase 0.1768 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0334 0.1754 0.1332
Loa Loa (eye worm) hypothetical protein 0.036 0.1903 0.1903
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1406 0.7919 0.7813
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.0954 0.5322 0.5082
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0114 0.0487 0.0487
Entamoeba histolytica protein kinase rad3, putative 0.0334 0.1754 0.1332
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0593 0.3241 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0334 0.1754 0.1754
Mycobacterium tuberculosis Conserved hypothetical protein 0.0114 0.0487 0.5
Schistosoma mansoni fkbp-rapamycin associated protein 0.0334 0.1754 0.1754
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1406 0.7919 0.7813
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0334 0.1754 0.1332
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0114 0.0487 0.0487
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1768 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0487 0.0487
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0334 0.1754 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0954 0.5322 0.5082
Loa Loa (eye worm) hypoxia-induced factor 1 0.0164 0.0774 0.0774
Trichomonas vaginalis PIKK family atypical protein kinase 0.0953 0.5314 0.5074
Trichomonas vaginalis conserved hypothetical protein 0.022 0.1098 0.0642
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0487 0.0487
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0114 0.0487 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1046 0.5847 0.5634
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1407 0.7928 0.7822
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0114 0.0487 0.0487
Trichomonas vaginalis conserved hypothetical protein 0.0258 0.1318 0.0873
Trichomonas vaginalis PIKK family atypical protein kinase 0.1056 0.5907 0.5698
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.0487 0.0487
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0114 0.0487 0.0487
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0258 0.1318 0.1318
Loa Loa (eye worm) phosphatidylinositol 3 0.1768 1 1
Loa Loa (eye worm) hypothetical protein 0.0372 0.1974 0.1974
Echinococcus multilocularis 0.0114 0.0487 0.0487
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0141 0.0141
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0487 0.0487
Toxoplasma gondii FATC domain-containing protein 0.0334 0.1754 0.1835
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0487 0.0487
Schistosoma mansoni hypothetical protein 0.0114 0.0487 0.0487
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1768 1 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0593 0.3241 0.3241
Loa Loa (eye worm) phosphatidylinositol 3 0.0593 0.3241 0.3241
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0593 0.3241 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1056 0.5907 0.5698
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0593 0.3241 0.3241
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0334 0.1754 0.1754
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.3241 0.2895
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1768 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.1754 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1406 0.7919 0.7813
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.0487 0.0487
Schistosoma mansoni hypothetical protein 0.0258 0.1318 0.1318
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.3241 0.2895
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0114 0.0487 0.0487
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0593 0.3241 0.2895
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0114 0.0487 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1056 0.5907 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Schistosoma mansoni single-minded 0.0053 0.0136 0.0136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0953 0.5314 0.5074
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0114 0.0487 0.5
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1768 1 1
Echinococcus granulosus single minded 2 0.0039 0.0057 0.0057
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0734 0.4055 0.375
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0114 0.0487 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Onchocerca volvulus 0.0054 0.0141 0.2889
Echinococcus granulosus serine protein kinase ATM 0.0334 0.1754 0.1754
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0114 0.0487 0.0487
Loa Loa (eye worm) phosphatidylinositol 3 0.0114 0.0487 0.0487
Loa Loa (eye worm) phosphatidylinositol kinase 0.0114 0.0487 0.0487
Echinococcus multilocularis serine protein kinase ATM 0.0334 0.1754 0.1754
Brugia malayi FAT domain containing protein 0.0258 0.1318 0.1318
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1407 0.7928 0.7822
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1768 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0474 0.256 0.2178
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0114 0.0487 0.0487
Echinococcus granulosus tumor protein p63 0.0368 0.1946 0.1946
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1768 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0372 0.1974 0.2153
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0334 0.1754 0.1332
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1768 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1768 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0114 0.0487 0.0487
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.6652 0.6481
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.1754 0.1332
Trypanosoma cruzi target of rapamycin kinase 3 0.1407 0.7928 0.7822
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0334 0.1754 0.1754
Echinococcus multilocularis Zinc finger, PHD finger 0.0114 0.0487 0.0487
Brugia malayi hypoxia-induced factor 1 0.0164 0.0774 0.0774
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0114 0.0487 0.0487
Entamoeba histolytica hypothetical protein 0.0334 0.1754 0.1332
Loa Loa (eye worm) hypothetical protein 0.0178 0.0853 0.0853
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0114 0.0487 0.0487
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0114 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1315 0.7394 0.7261
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0334 0.1754 0.1754
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0334 0.1754 0.1754
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0593 0.3241 0.3241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.1754 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.3241 0.2895
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.022 0.1098 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.1406 0.7919 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0954 0.5322 0.5082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0953 0.5314 0.5074
Giardia lamblia GTOR 0.1768 1 1
Mycobacterium ulcerans putative regulatory protein 0.0039 0.0057 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0114 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0258 0.1318 0.1318
Echinococcus multilocularis tumor protein p63 0.0368 0.1946 0.1946
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0593 0.3241 0.2895
Mycobacterium leprae conserved hypothetical protein 0.0114 0.0487 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0836 0.464 0.4366
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1768 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0114 0.0487 0.0487
Plasmodium vivax hypothetical protein 0.0114 0.0487 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0141 0.0141
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1768 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0593 0.3241 0.3241
Plasmodium vivax hypothetical protein, conserved 0.0114 0.0487 0.5
Brugia malayi PAS domain containing protein 0.0053 0.0136 0.0136
Trichomonas vaginalis PIKK family atypical protein kinase 0.022 0.1098 0.0642
Brugia malayi bHLH-PAS transcription factor 0.0039 0.0057 0.0057

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.896 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) -4.841 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) -4.659 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) -4.647 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) -4.557 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) -4.499 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) -4.395 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) -4.39 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) -4.364 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) -4.273 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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