Detailed information for compound 1644997

Basic information

Technical information
  • TDR Targets ID: 1644997
  • Name: N-(2-hydroxyethyl)-4-nitrobenzamide
  • MW: 210.187 | Formula: C9H10N2O4
  • H donors: 2 H acceptors: 4 LogP: 0.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNC(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C9H10N2O4/c12-6-5-10-9(13)7-1-3-8(4-2-7)11(14)15/h1-4,12H,5-6H2,(H,10,13)
  • InChiKey: HSVWGRARUBXOMD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-hydroxyethyl)-4-nitro-benzamide
  • 6640-65-9
  • EU-0033771
  • Benzamide, N-(2-hydroxyethyl)-4-nitro-
  • Benzamide, N-(2-hydroxyethyl)-p-nitro-
  • NSC49010
  • ZINC01681179
  • Oprea1_079871
  • SBB003449
  • NCI60_004177

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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1601 0.4629 0.4366
Trichomonas vaginalis PIKK family atypical protein kinase 0.2693 0.7915 0.7912
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0218 0.0467 0.0453
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0467 0.0467
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0073 0.0029 0.0029
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0218 0.0467 0.0439
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3386 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1136 0.3227 0.3217
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0218 0.0467 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2891 0.851 0.8508
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0218 0.0467 0.0453
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0218 0.0467 0.042
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1136 0.3227 0.3207
Echinococcus granulosus serine protein kinase ATM 0.064 0.1737 0.1713
Schistosoma mansoni hypothetical protein 0.0218 0.0467 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.1828 0.5312 0.5305
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0495 0.1299 0.1274
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0218 0.0467 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.2693 0.7915 0.7912
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.064 0.1737 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0218 0.0467 0.0439
Schistosoma mansoni fkbp-rapamycin associated protein 0.064 0.1737 0.1696
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Trichomonas vaginalis PIKK family atypical protein kinase 0.1828 0.5312 0.5305
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0218 0.0467 0.0439
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0218 0.0467 0.0439
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3386 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0218 0.0467 0.0439
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0218 0.0467 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0218 0.0467 0.0453
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0218 0.0467 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.2198 0.6425 0.642
Loa Loa (eye worm) hypothetical protein 0.069 0.1886 0.1886
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0218 0.0467 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0422 0.1079 0.1066
Trichomonas vaginalis PIKK family atypical protein kinase 0.1136 0.3227 0.3217
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0218 0.0467 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0909 0.2544 0.2533
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0218 0.0467 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2003 0.5838 0.5832
Giardia lamblia GTOR 0.3386 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0218 0.0467 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.1136 0.3227 0.3217
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0218 0.0467 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.3386 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.064 0.1737 0.1725
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1136 0.3227 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1136 0.3227 0.3207
Trichomonas vaginalis PIKK family atypical protein kinase 0.2023 0.5899 0.5893
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1136 0.3227 0.2895
Plasmodium vivax hypothetical protein 0.0218 0.0467 0.5
Toxoplasma gondii FATC domain-containing protein 0.064 0.1737 0.1835
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0218 0.0467 0.042
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3386 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0467 0.0467
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0467 0.0467
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0218 0.0467 0.0439
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0714 0.1957 0.2153
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3386 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0218 0.0467 0.0439
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1136 0.3227 0.2895
Loa Loa (eye worm) hypothetical protein 0.0495 0.1299 0.1299
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1136 0.3227 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.3386 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1136 0.3227 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0218 0.0467 0.0453
Loa Loa (eye worm) hypothetical protein 0.064 0.1737 0.1737
Trichomonas vaginalis PIKK family atypical protein kinase 0.2693 0.7915 0.7912
Leishmania major phosphatidylinositol 3-kinase, putative 0.1136 0.3227 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.064 0.1737 0.1713
Entamoeba histolytica hypothetical protein 0.064 0.1737 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1828 0.5312 0.5305
Mycobacterium leprae conserved hypothetical protein 0.0218 0.0467 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Loa Loa (eye worm) hypothetical protein 0.0218 0.0467 0.0467
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3386 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.064 0.1737 0.1713
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.064 0.1737 0.1696
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0218 0.0467 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0218 0.0467 0.0467
Trichomonas vaginalis PIKK family atypical protein kinase 0.2693 0.7915 0.7912
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0218 0.0467 0.5
Schistosoma mansoni hypothetical protein 0.0495 0.1299 0.1256
Trichomonas vaginalis PIKK family atypical protein kinase 0.2023 0.5899 0.5893
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0218 0.0467 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0422 0.1079 0.1066
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0218 0.0467 0.0467
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2696 0.7923 0.7822
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0218 0.0467 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.2003 0.5838 0.5832
Trichomonas vaginalis PIKK family atypical protein kinase 0.1826 0.5304 0.5297
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0218 0.0467 0.0453
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0218 0.0467 0.0439
Onchocerca volvulus 0.0218 0.0467 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0467 0.0453
Loa Loa (eye worm) hypothetical protein 0.0218 0.0467 0.0467
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3386 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3386 1 1
Loa Loa (eye worm) hypothetical protein 0.0714 0.1957 0.1957
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3386 1 1
Brugia malayi FAT domain containing protein 0.0495 0.1299 0.1274
Onchocerca volvulus 0.0218 0.0467 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.064 0.1737 0.1725
Trichomonas vaginalis conserved hypothetical protein 0.0495 0.1299 0.1287
Trypanosoma cruzi target of rapamycin kinase 3 0.2696 0.7923 0.7822
Trichomonas vaginalis PIKK family atypical protein kinase 0.2271 0.6645 0.664
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.064 0.1737 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0218 0.0467 0.0453
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Plasmodium vivax hypothetical protein, conserved 0.0218 0.0467 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3386 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.2518 0.7389 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.064 0.1737 0.1713
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0218 0.0467 0.0439
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0218 0.0467 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.1136 0.3227 0.3217
Trichomonas vaginalis PIKK family atypical protein kinase 0.2023 0.5899 0.5893
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0218 0.0467 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Trichomonas vaginalis PIKK family atypical protein kinase 0.1826 0.5304 0.5297
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3386 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2696 0.7923 0.7822
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.1957 0.1945
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0422 0.1079 0.0642
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.064 0.1737 0.1332
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0218 0.0467 0.0453
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0467 0.0467
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0218 0.0467 0.0439
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0218 0.0467 0.042
Trichomonas vaginalis PIKK family atypical protein kinase 0.3386 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0218 0.0467 0.0453
Loa Loa (eye worm) phosphatidylinositol 3 0.0218 0.0467 0.0467
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1406 0.4042 0.375
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1136 0.3227 0.3193
Trichomonas vaginalis PIKK family atypical protein kinase 0.064 0.1737 0.1725
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0218 0.0467 0.042
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0495 0.1299 0.1274
Loa Loa (eye worm) hypothetical protein 0.0422 0.1079 0.1079
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1136 0.3227 0.3207
Trichomonas vaginalis PIKK family atypical protein kinase 0.3386 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0218 0.0467 0.0439
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0218 0.0467 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0218 0.0467 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.2518 0.7389 0.7385
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.064 0.1737 0.1332
Echinococcus multilocularis 0.0218 0.0467 0.0439
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0218 0.0467 0.0439
Echinococcus multilocularis serine protein kinase ATM 0.064 0.1737 0.1713
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.0467 0.0453
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0218 0.0467 0.0453
Mycobacterium tuberculosis Conserved hypothetical protein 0.0218 0.0467 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3386 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1826 0.5304 0.5297
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0218 0.0467 0.0439
Echinococcus multilocularis Zinc finger, PHD finger 0.0218 0.0467 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.1828 0.5312 0.5305
Trichomonas vaginalis PIKK family atypical protein kinase 0.2693 0.7915 0.7912
Trichomonas vaginalis PIKK family atypical protein kinase 0.1136 0.3227 0.3217
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.064 0.1737 0.1713
Entamoeba histolytica protein kinase rad3, putative 0.064 0.1737 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.1136 0.3227 0.3227

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 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 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 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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