Detailed information for compound 1650849

Basic information

Technical information
  • TDR Targets ID: 1650849
  • Name: 2-Nitroacridine
  • MW: 224.215 | Formula: C13H8N2O2
  • H donors: 0 H acceptors: 3 LogP: 3.36 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)cc1c(n2)cccc1
  • InChi: 1S/C13H8N2O2/c16-15(17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H
  • InChiKey: VAPQAGMSICPBKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 29808-81-9
  • NSC170669

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 heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.2759 1 1
Brugia malayi heat shock protein 90 0.0178 0.037 0.0153
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Toxoplasma gondii heat shock protein 90, putative 0.0178 0.037 1
Loa Loa (eye worm) heat shock protein 90 0.0178 0.037 0.0153
Brugia malayi Matrixin family protein 0.0416 0.1257 0.106
Onchocerca volvulus Matrilysin homolog 0.0381 0.1129 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Trypanosoma brucei C-8 sterol isomerase, putative 0.2759 1 1
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0896 0.305 1
Trichomonas vaginalis heat shock protein, putative 0.0178 0.037 1
Plasmodium vivax endoplasmin, putative 0.0178 0.037 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Entamoeba histolytica heat shock protein 90, putative 0.0178 0.037 1
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2759 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Schistosoma mansoni heat shock protein 0.0138 0.0221 0.3429
Giardia lamblia Grp94/Hsp90 0.0158 0.0295 0.282
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Loa Loa (eye worm) endoplasmin 0.0178 0.037 0.0153
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0625 0.2039 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Toxoplasma gondii heat shock protein 75, putative 0.0138 0.0221 0.5351
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0251 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trypanosoma brucei Heat shock protein 83, putative 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Mycobacterium leprae PROBABLE HYDROLASE 0.0209 0.0487 1
Trypanosoma cruzi heat shock protein 85, putative 0.015 0.0266 0.021
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0209 0.0487 1
Trichomonas vaginalis heat shock protein, putative 0.0112 0.0123 0.2973
Mycobacterium ulcerans hydrolase 0.0209 0.0487 1
Trypanosoma cruzi heat shock protein, putative 0.0138 0.0221 0.0164
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Trypanosoma cruzi Heat shock protein 83, putative 0.0178 0.037 0.0315
Plasmodium falciparum endoplasmin, putative 0.0112 0.0123 0.233
Echinococcus multilocularis heat shock protein 0.0178 0.037 0.0822
Schistosoma mansoni hypothetical protein 0.0244 0.0616 0.9568
Plasmodium vivax heat shock protein 90, putative 0.0138 0.0221 0.5351
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0172 0.0348 0.5402
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0625 0.2039 1
Echinococcus granulosus heat shock protein 90 0.0178 0.037 0.0822
Plasmodium falciparum heat shock protein 90, putative 0.013 0.0191 0.4436
Schistosoma mansoni heat shock protein 0.0178 0.037 0.5753
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Onchocerca volvulus Matrilysin homolog 0.0172 0.0348 0.1398
Plasmodium vivax heat shock protein 86, putative 0.0178 0.037 1
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Echinococcus multilocularis heat shock protein 90 0.015 0.0266 0.0248
Trichomonas vaginalis heat shock protein, putative 0.0158 0.0295 0.7866
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Onchocerca volvulus 0.0244 0.0616 0.4349
Loa Loa (eye worm) hypothetical protein 0.141 0.4967 0.4854
Plasmodium falciparum heat shock protein 90 0.0178 0.037 1
Echinococcus multilocularis heat shock protein 90 0.0178 0.037 0.0822
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Brugia malayi Endoplasmin precursor 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Entamoeba histolytica heat shock protein 90, putative 0.0178 0.037 1
Trypanosoma brucei heat shock protein 90, putative 0.0178 0.037 0.0153
Schistosoma mansoni endoplasmin 0.0178 0.037 0.5753
Echinococcus granulosus endoplasmin 0.0158 0.0295 0.041
Onchocerca volvulus Matrix metalloproteinase homolog 0.0381 0.1129 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trypanosoma cruzi heat shock protein 90, putative 0.0178 0.037 0.0315
Trypanosoma brucei heat shock protein 90, putative 0.0178 0.037 0.0153
Leishmania major C-8 sterol isomerase-like protein 0.2759 1 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.0209 0.0487 0.0273
Schistosoma mansoni endoplasmin 0.0178 0.037 0.5753
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.015 0.0266 0.0248
Trichomonas vaginalis heat shock protein, putative 0.0158 0.0295 0.7866
Loa Loa (eye worm) matrixin family protein 0.0416 0.1257 0.106
Brugia malayi Hemopexin family protein 0.0244 0.0616 0.0404
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) matrix metalloproteinase 0.0172 0.0348 0.013
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0158 0.0295 0.0076
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Treponema pallidum heat shock protein 90 0.0158 0.0295 0.5
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Giardia lamblia Heat shock protein HSP 90-alpha 0.0178 0.037 1
Onchocerca volvulus 0.0172 0.0348 0.1398
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Loa Loa (eye worm) matrixin family protein 0.0381 0.1129 0.0929
Trichomonas vaginalis heat shock protein, putative 0.015 0.0266 0.7027
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Toxoplasma gondii heat shock protein HSP90 0.0178 0.037 1
Trypanosoma cruzi heat shock protein 90, putative 0.015 0.0266 0.021
Echinococcus granulosus heat shock protein 90 0.015 0.0266 0.0248
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Echinococcus multilocularis endoplasmin 0.0158 0.0295 0.041
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0209 0.0487 0.0273
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trichomonas vaginalis endoplasmin, putative 0.0112 0.0123 0.2973
Echinococcus granulosus heat shock protein 0.0178 0.037 0.0822
Schistosoma mansoni heat shock protein 0.0178 0.037 0.5753

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.708 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) -5.678 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) -5.642 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) -5.549 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) -5.517 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) -5.484 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) -5.469 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

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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