Detailed information for compound 1444517

Basic information

Technical information
  • TDR Targets ID: 1444517
  • Name: N-(cyclopentylideneamino)-4-nitrobenzamide
  • MW: 247.25 | Formula: C12H13N3O3
  • H donors: 1 H acceptors: 3 LogP: 1.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])NN=C1CCCC1
  • InChi: 1S/C12H13N3O3/c16-12(14-13-10-3-1-2-4-10)9-5-7-11(8-6-9)15(17)18/h5-8H,1-4H2,(H,14,16)
  • InChiKey: QVSXYVVAOWEMJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(cyclopentylideneamino)-4-nitro-benzamide
  • 329-83-9
  • AIDS166837
  • NSC404146
  • WLN: L5TJ AMMVR DNW
  • MLS000727959
  • N'-cyclopentylidene-4-nitrobenzohydrazide
  • SMR000306653
  • AIDS-166837
  • ZINC00059683
  • A0616/0028531
  • CBDivE_008019
  • Benzoic acid, p-nitro-,cyclo-pentylidenehydrazide
  • Benzoic acid, 4-nitro-, cyclopentylidenehydrazide
  • 3-09-00-01753 (Beilstein Handbook Reference)
  • BENZOIC ACID, p-NITRO-, CYCLOPENTYLIDENEHYDRAZIDE
  • BRN 3353138
  • Benzoic acid, 4-nitro-, cyclopentylidenehydrazide (9CI)
  • NSC 404146
  • p-Nitrobenzoic acid cyclopentylidene hydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
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
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0832 0.3823 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0832 0.3823 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0074 0.0074
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.025 0.1053 0.1053
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0832 0.3823 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0074 0.0193
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2132 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0074 0.0193
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0802 0.7891
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0074 0.0193
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0832 0.3823 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2132 1 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0832 0.3823 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2132 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0832 0.3823 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0832 0.3823 1
Echinococcus multilocularis serotonin receptor 0.0147 0.0567 0.1484
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0074 0.0193
Loa Loa (eye worm) hypothetical protein 0.0147 0.0567 0.5585
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2132 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0724 0.7126
Schistosoma mansoni alpha-glucosidase 0.0169 0.0671 0.0671
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0832 0.3823 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0074 0.0074
Echinococcus granulosus muscleblind protein 0.018 0.0724 0.1893
Schistosoma mansoni biogenic amine (5HT) receptor 0.0428 0.1903 0.1903
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2132 1 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0724 0.1893
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0074 0.0074
Schistosoma mansoni biogenic amine (5HT) receptor 0.0147 0.0567 0.0567
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0074 0.0193
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0802 0.2097
Loa Loa (eye worm) hypothetical protein 0.0242 0.1016 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0074 0.0193
Echinococcus granulosus biogenic amine 5HT receptor 0.0147 0.0567 0.1484
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2132 1 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.2132 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0832 0.3823 1
Onchocerca volvulus 0.0114 0.0407 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0802 0.2097
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0074 0.0193
Leishmania major dihydroorotate dehydrogenase 0.2132 1 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0567 0.5585
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0074 0.0193
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.018 0.0724 0.7126
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0832 0.3823 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0671 0.0671
Echinococcus multilocularis serotonin receptor 0.0147 0.0567 0.1484
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0074 0.0193
Brugia malayi Zinc finger, C2H2 type family protein 0.0832 0.3823 0.3823
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2132 1 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0802 0.2097
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2132 1 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2132 1 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0428 0.1903 0.4976
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.025 0.1053 0.2754
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2132 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0074 0.0728
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0802 0.0802
Brugia malayi Muscleblind-like protein 0.018 0.0724 0.0724
Loa Loa (eye worm) hypothetical protein 0.0222 0.0919 0.9051
Echinococcus multilocularis muscleblind protein 0.018 0.0724 0.1893
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0074 0.0193
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0832 0.3823 0.3823
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2132 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0074 0.0074
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0074 0.0193
Echinococcus granulosus biogenic amine 5HT receptor 0.0428 0.1903 0.4976
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0832 0.3823 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.2132 1 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.025 0.1053 0.2754
Trypanosoma brucei glucosidase, putative 0.0044 0.0074 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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.

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