Detailed information for compound 1878802

Basic information

Technical information
  • TDR Targets ID: 1878802
  • Name: (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-n itrophenyl)hydrazinylidene]propan-2-one
  • MW: 338.361 | Formula: C18H18N4O3
  • H donors: 1 H acceptors: 3 LogP: 4.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/N1CCCc2c1cccc2
  • InChi: 1S/C18H18N4O3/c1-13(23)18(20-19-15-8-10-16(11-9-15)22(24)25)21-12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11,19H,4,6,12H2,1H3/b20-18-
  • InChiKey: CGVOPGFFYAKNBF-ZZEZOPTASA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-nitrophenyl)hydrazono]propan-2-one
  • (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-nitrophenyl)hydrazono]acetone
  • STOCK3S-53025

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 chromobox protein, putative 0.0051 0.313 0.3419
Brugia malayi chromobox protein homolog 3 0.0047 0.2748 0.2004
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0381 0.0559
Schistosoma mansoni hypothetical protein 0.0025 0.0381 0.0188
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.251 0.3131
Trichomonas vaginalis chromobox protein, putative 0.0084 0.6683 1
Brugia malayi Bromodomain containing protein 0.0091 0.7367 0.7097
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.5402 0.5286
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1476 0.1262
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5465 0.8016
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2264 0.207
Plasmodium falciparum phd finger protein, putative 0.0035 0.1476 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0627 0.0527
Entamoeba histolytica hypothetical protein 0.0043 0.2353 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.6683 1
Schistosoma mansoni hypothetical protein 0.0035 0.1476 0.1702
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1476 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2353 0.2161
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1476 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0627 0.0391
Echinococcus granulosus chromobox protein 1 0.0084 0.6683 0.6599
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.251 0.3681
Brugia malayi Bromodomain containing protein 0.0046 0.2651 0.1897
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1476 0.2165
Entamoeba histolytica hypothetical protein 0.0043 0.2353 0.5
Brugia malayi Bromodomain containing protein 0.0038 0.178 0.0937
Echinococcus granulosus peregrin 0.0038 0.178 0.1574
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.313 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.6683 0.9802
Loa Loa (eye worm) hypothetical protein 0.0035 0.1476 0.2165
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.2748 0.7695
Loa Loa (eye worm) hypothetical protein 0.0085 0.6818 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2347 0.2155
Entamoeba histolytica hypothetical protein 0.0043 0.2353 0.5
Echinococcus multilocularis chromobox protein 1 0.0084 0.6683 0.6599
Loa Loa (eye worm) hypothetical protein 0.0047 0.2748 0.4031
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1476 0.1702
Brugia malayi jmjC domain containing protein 0.0045 0.251 0.1741
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2353 0.2161
Onchocerca volvulus 0.0037 0.1664 0.1137
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7478 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Echinococcus granulosus chromobox protein 1 0.0084 0.6683 0.6599
Loa Loa (eye worm) hypothetical protein 0.006 0.4153 0.6091
Schistosoma mansoni hypothetical protein 0.0043 0.2353 0.2914
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.251 0.3131
Giardia lamblia PHD finger protein 15 0.0035 0.1476 0.5
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1476 0.1262
Entamoeba histolytica hypothetical protein 0.0043 0.2353 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.251 0.2321
Schistosoma mansoni chromobox protein 0.0084 0.6683 0.89
Echinococcus multilocularis chromobox protein 1 0.0084 0.6683 0.6599
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2748 0.2714
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2943 0.2766
Loa Loa (eye worm) hypothetical protein 0.0046 0.266 0.3902
Schistosoma mansoni bromodomain containing protein 0.0076 0.5862 0.7765
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2347 0.2155
Brugia malayi Heterochromatin protein 1 0.0084 0.6683 0.6342
Echinococcus multilocularis peregrin 0.0038 0.178 0.1574
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.5402 0.5286
Loa Loa (eye worm) hypothetical protein 0.0037 0.1664 0.2441
Brugia malayi PHD-finger family protein 0.0035 0.1476 0.0601
Loa Loa (eye worm) hypothetical protein 0.0052 0.321 0.4709
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2943 0.2766
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2353 0.2914
Schistosoma mansoni chromobox protein 0.0084 0.6683 0.89
Brugia malayi hypothetical protein 0.0043 0.2353 0.1568
Trichomonas vaginalis chromobox protein, putative 0.0051 0.313 0.3419
Loa Loa (eye worm) hypothetical protein 0.0049 0.2965 0.4348
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0627 0.0391
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1476 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2748 0.2714

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.5615 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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