Detailed information for compound 1636427

Basic information

Technical information
  • TDR Targets ID: 1636427
  • Name: N,N-Dimethyl-4-nitrobenzamide
  • MW: 194.187 | Formula: C9H10N2O3
  • H donors: 0 H acceptors: 3 LogP: 1.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C9H10N2O3/c1-10(2)9(12)7-3-5-8(6-4-7)11(13)14/h3-6H,1-2H3
  • InChiKey: WYOXDERVKORKJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-4-nitro-benzamide
  • 7291-01-2
  • NCI60_003863
  • N,N-Dimethyl-p-nitrobenzamide
  • 4-Nitro-N,N-dimethylbenzamide
  • 4-Nitrobenzoic acid dimethylamide
  • Benzamide, N,N-dimethyl-4-nitro-
  • Benzamide, N,N-dimethyl-p-nitro-
  • SBB006322
  • NSC406843
  • AIDS-046772
  • AIDS046772
  • ARONIS014391
  • InChI=1/C9H10N2O3/c1-10(2)9(12)7-3-5-8(6-4-7)11(13)14/h3-6H,1-2H
  • ZINC04532644

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
Leishmania major sphingosine kinase A, B, putative 0.0027 0 0.5
Leishmania major diacylglycerol kinase, putative 0.0027 0 0.5
Echinococcus granulosus sphingosine kinase 1 0.0683 0.5891 0.5891
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0027 0 0.5
Echinococcus multilocularis Immunoglobulin 0.0051 0.022 0.0373
Trichomonas vaginalis bmru protein, putative 0.0027 0 0.5
Echinococcus granulosus roundabout 2 0.0062 0.0319 0.0319
Leishmania major diacylglycerol kinase-like protein 0.0027 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0027 0 0.5
Brugia malayi Fibronectin type III domain containing protein 0.0051 0.022 0.6921
Leishmania major hypothetical protein, conserved 0.0027 0 0.5
Echinococcus multilocularis sphingosine kinase 1 0.0683 0.5891 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0057 0.0276 0.0276
Trichomonas vaginalis bmru protein, putative 0.0027 0 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0027 0 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0027 0 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0027 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0683 0.5891 1
Entamoeba histolytica hypothetical protein, conserved 0.0683 0.5891 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373
Trichomonas vaginalis sphingosine kinase, putative 0.0027 0 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0051 0.022 0.0373
Onchocerca volvulus 0.0027 0 0.5
Schistosoma mansoni nephrin 0.0056 0.0263 0.0447
Plasmodium vivax diacylglycerol kinase, putative 0.0027 0 0.5
Onchocerca volvulus Ceramide kinase 1 homolog 0.0027 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0027 0 0.5
Trypanosoma brucei Sphingosine kinase 0.0027 0 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0027 0 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0051 0.022 0.0373
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373
Schistosoma mansoni cell adhesion molecule 0.0057 0.0276 0.0468
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0051 0.022 0.0373
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0027 0 0.5
Echinococcus multilocularis neuroglian 0.0056 0.0263 0.0447
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373
Echinococcus granulosus twitchin 0.0056 0.0263 0.0263
Leishmania major hypothetical protein, conserved 0.0027 0 0.5
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0027 0 0.5
Echinococcus multilocularis Immunoglobulin 0.0051 0.022 0.0373
Trichomonas vaginalis diacylglycerol kinase, putative 0.0027 0 0.5
Echinococcus granulosus defective proboscis extension response 0.0051 0.022 0.022
Schistosoma mansoni sphingosine kinase A B 0.0683 0.5891 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0027 0 0.5
Schistosoma mansoni vesicular amine transporter 0.0051 0.022 0.0373
Loa Loa (eye worm) hypothetical protein 0.0062 0.0319 0.0542
Brugia malayi Immunoglobulin I-set domain containing protein 0.0062 0.0317 1
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0027 0 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0062 0.0317 0.0538
Schistosoma mansoni sphingoid long chain base kinase 0.0683 0.5891 1
Trypanosoma brucei diacylglycerol kinase, putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0276 0.0468
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0683 0.5891 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0319 0.0542
Echinococcus granulosus neuroglian 0.0056 0.0263 0.0263
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0027 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0027 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0683 0.5891 1
Plasmodium falciparum diacylglycerol kinase, putative 0.0027 0 0.5
Trypanosoma cruzi Sphingosine kinase 0.0027 0 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.022 0.6921
Echinococcus multilocularis roundabout 2 0.0062 0.0319 0.0542
Plasmodium falciparum diacylglycerol kinase, putative 0.0027 0 0.5
Echinococcus granulosus Immunoglobulin 0.0051 0.022 0.022
Trypanosoma cruzi Sphingosine kinase 0.0027 0 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0027 0 0.5
Brugia malayi hypothetical protein 0.0051 0.022 0.6921
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0027 0 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.022 0.0373

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 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 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 MALME-3M 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 SK-MEL-5 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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