Detailed information for compound 1546563

Basic information

Technical information
  • TDR Targets ID: 1546563
  • Name: N-[5-(2,6-dichlorophenoxy)-2,4-dinitrophenyl] piperidin-1-amine
  • MW: 427.239 | Formula: C17H16Cl2N4O5
  • H donors: 1 H acceptors: 4 LogP: 5.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1Oc1cc(NN2CCCCC2)c(cc1[N+](=O)[O-])[N+](=O)[O-])Cl
  • InChi: 1S/C17H16Cl2N4O5/c18-11-5-4-6-12(19)17(11)28-16-9-13(20-21-7-2-1-3-8-21)14(22(24)25)10-15(16)23(26)27/h4-6,9-10,20H,1-3,7-8H2
  • InChiKey: WZHMOSQPJOWXHI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(2,6-dichlorophenoxy)-2,4-dinitro-phenyl]piperidin-1-amine
  • N-[5-(2,6-dichlorophenoxy)-2,4-dinitrophenyl]-1-piperidinamine
  • [5-(2,6-dichlorophenoxy)-2,4-dinitro-phenyl]-piperidino-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 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
Echinococcus multilocularis chromobox 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 ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical 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
Schistosoma mansoni chromobox 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
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus 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
Echinococcus multilocularis chromobox protein 1 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
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196

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 Calcitonin receptor-like protein seb-1 0.006 0.5463 0.4979
Echinococcus granulosus chromobox protein 1 0.0084 0.9039 1
Schistosoma mansoni chromobox protein 0.0084 0.9039 1
Schistosoma mansoni chromobox protein 0.0084 0.9039 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.9228 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0535 0.0592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2951 0.3265
Echinococcus granulosus chromobox protein 1 0.0084 0.9039 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.3818 0.4014
Brugia malayi Heterochromatin protein 1 0.0084 0.9039 0.8936
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5463 0.5833
Loa Loa (eye worm) hypothetical protein 0.0041 0.2617 0.2684
Loa Loa (eye worm) hypothetical protein 0.0037 0.1992 0.1993
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0535 0.0592
Echinococcus multilocularis chromobox protein 1 0.0084 0.9039 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.9039 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0535 0.0592
Trichomonas vaginalis chromobox protein, putative 0.0051 0.405 0.3419
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5463 0.4979
Loa Loa (eye worm) hypothetical protein 0.0052 0.4163 0.4395
Trichomonas vaginalis chromobox protein, putative 0.0084 0.9039 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.3514 0.3678
Schistosoma mansoni bromodomain containing protein 0.0076 0.7886 0.8724
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.724 0.801
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3514 0.2714
Loa Loa (eye worm) hypothetical protein 0.006 0.5463 0.5833
Schistosoma mansoni hypothetical protein 0.0041 0.2617 0.2895
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.3514 0.2714
Brugia malayi Bromodomain containing protein 0.0046 0.3378 0.2673
Loa Loa (eye worm) hypothetical protein 0.0046 0.3391 0.3541
Trichomonas vaginalis chromobox protein, putative 0.0084 0.9039 1
Brugia malayi chromobox protein homolog 3 0.0047 0.3514 0.2824
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2617 0.183
Trichomonas vaginalis chromobox protein, putative 0.0051 0.405 0.3419
Schistosoma mansoni hypothetical protein 0.0025 0.0191 0.0211
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.9039 0.979
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2951 0.3265
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.3514 0.7399
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.724 0.801
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.405 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 15.8489 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) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 50.1187 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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