Detailed information for compound 1595336

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 453.365 | Formula: C20H26Cl2N6O2
  • H donors: 4 H acceptors: 2 LogP: 2.42 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(=N)N)NCCCCNC(=O)c1ccc(cc1)C(=N)N.Cl.Cl
  • InChi: 1S/C20H24N6O2.2ClH/c21-17(22)13-3-7-15(8-4-13)19(27)25-11-1-2-12-26-20(28)16-9-5-14(6-10-16)18(23)24;;/h3-10H,1-2,11-12H2,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28);2*1H
  • InChiKey: JLRWPFPGGHJKPS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0112 0.0182
Echinococcus granulosus ecdysone induced protein 78C 0.0077 0.0549 0.0549
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0165 0.0165
Echinococcus granulosus FTZ F1 alpha 0.0077 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0667 0.6153 0.6153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0244 0.0244
Brugia malayi conserved hypotetical protein 0.0036 0.0165 0.0268
Entamoeba histolytica hypothetical protein 0.0035 0.0154 0.025
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0077 0.0549 0.0892
Schistosoma mansoni hypothetical protein 0.0035 0.0154 0.0154
Echinococcus granulosus transcription factor Dp 1 0.0386 0.3487 0.3487
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Leishmania major hypothetical protein, conserved 0.0024 0.0054 0.0088
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0077 0.0549 0.0571
Onchocerca volvulus 0.0077 0.0549 1
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0062 0.0101
Brugia malayi photoreceptor-specific nuclear receptor 0.0077 0.0549 0.0892
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0667 0.6153 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0154 0.0154
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0406 0.0406
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0244 0.0253
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0406 0.0406
Brugia malayi hypothetical protein 0.0036 0.0165 0.0268
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0154 0.016
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0165 0.0165
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0165 0.0171
Entamoeba histolytica hypothetical protein 0.0035 0.0154 0.025
Schistosoma mansoni coup transcription factor 0.0077 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0044 0.0235 0.0382
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0062 1
Schistosoma mansoni hypothetical protein 0.0165 0.1384 0.1384
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0667 0.6153 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0077 0.0549 0.0549
Schistosoma mansoni thyroid hormone receptor 0.0077 0.0549 0.0549
Echinococcus granulosus nuclear receptor nhr 48 0.0036 0.0165 0.0165
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0077 0.0549 0.0549
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0667 0.6153 1
Leishmania major DNA polymerase eta, putative 0.0031 0.0112 0.0182
Brugia malayi nuclear receptor RXR 0.004 0.0206 0.0335
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0054 0.0088
Brugia malayi Nuclear hormone receptor-like 1 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Brugia malayi ecdysteroid receptor 0.0077 0.0549 0.0892
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0077 0.0549 0.0892
Brugia malayi hypothetical protein 0.004 0.0206 0.0335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.0335
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0206 0.0335
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0077 0.0549 0.0549
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0077 0.0549 0.0549
Entamoeba histolytica hypothetical protein 0.0035 0.0154 0.025
Brugia malayi Protein kinase domain containing protein 0.0231 0.201 0.3267
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Schistosoma mansoni nuclear receptor nhr-48 0.0036 0.0165 0.0165
Brugia malayi nuclear hormone receptor 0.0036 0.0165 0.0268
Loa Loa (eye worm) nuclear receptor NHR-67 0.0036 0.0165 0.0268
Loa Loa (eye worm) RNA binding protein 0.0062 0.0406 0.066
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0077 0.0549 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0036 0.0165 0.0165
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0667 0.6153 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.004 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0165 0.0268
Echinococcus granulosus thyroid hormone receptor alpha 0.0036 0.0165 0.0165
Brugia malayi tailless protein 0.0036 0.0165 0.0268
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0077 0.0549 0.0892
Brugia malayi nuclear hormone receptor 0.0077 0.0549 0.0892
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0077 0.0549 0.0549
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0165 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0244
Schistosoma mansoni RAR-like nuclear receptor 0.0077 0.0549 0.0549
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0036 0.0165 0.0165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0244 0.0396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0244 0.0253
Schistosoma mansoni zinc finger protein 0.0036 0.0165 0.0165
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0165 0.0171
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.0335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Brugia malayi hypothetical protein 0.004 0.0206 0.0335
Echinococcus multilocularis thyroid hormone receptor alpha 0.0077 0.0549 0.0571
Onchocerca volvulus Bile acid receptor homolog 0.0077 0.0549 1
Plasmodium falciparum flap endonuclease 1 0.0025 0.0062 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0077 0.0549 0.0892
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.004 0.0206 0.0206
Schistosoma mansoni nuclear hormone receptor 0.0077 0.0549 0.0549
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0165 0.0165
Schistosoma mansoni thyroid hormone receptor 0.0077 0.0549 0.0549
Schistosoma mansoni nuclear receptor 0.0036 0.0165 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0244
Schistosoma mansoni DNA polymerase eta 0.0044 0.0235 0.0235
Echinococcus granulosus geminin 0.0165 0.1384 0.1384
Entamoeba histolytica hypothetical protein 0.0035 0.0154 0.025
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0054 0.0088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0244 0.0244
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0206 0.0335
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0077 0.0549 0.0571
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0235 0.0382
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0165 0.0165
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0244 0.0396
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0165 0.0171
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0062 0.0065
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.004 0.0206 0.0335
Schistosoma mansoni retinoic acid receptor RXR 0.1073 1 1
Leishmania major DNA polymerase eta, putative 0.0044 0.0235 0.0382
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0077 0.0549 0.0549
Schistosoma mansoni hypothetical protein 0.0165 0.1384 0.1384
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0077 0.0549 0.0892
Echinococcus multilocularis geminin 0.0165 0.1384 0.1439
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0667 0.6153 1
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0062 0.0101
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1033 0.9616 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Mycobacterium ulcerans DNA polymerase IV 0.0019 0 0.5
Brugia malayi nuclear receptor RXR 0.0036 0.0165 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0077 0.0549 0.0892
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0077 0.0549 0.0571
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0062 0.1335
Brugia malayi nuclear receptor NHR-88 0.0036 0.0165 0.0268
Brugia malayi ecdysone receptor 0.0036 0.0165 0.0268
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0062 1
Loa Loa (eye worm) nuclear hormone receptor 0.0036 0.0165 0.0268
Onchocerca volvulus Protein ultraspiracle homolog 0.0077 0.0549 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Brugia malayi orphan nuclear receptor NR2E1 0.0036 0.0165 0.0268
Schistosoma mansoni serine/threonine protein kinase 0.0231 0.201 0.201
Brugia malayi nuclear receptor NHR-67 0.0036 0.0165 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0406 0.0406
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0231 0.201 0.3267
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0036 0.0165 0.0268
Brugia malayi Flap endonuclease-1 0.0025 0.0062 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0077 0.0549 0.0892
Brugia malayi RNA binding protein 0.0062 0.0406 0.066
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0165 0.0268
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0077 0.0549 0.0549
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0077 0.0549 0.0549
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0036 0.0165 0.0171
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0054 0.0088
Echinococcus multilocularis FTZ F1 alpha 0.0077 0.0549 0.0571
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0062 0.0101
Echinococcus granulosus flap endonuclease 1 0.0025 0.0062 0.0062
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0235 0.0382
Echinococcus multilocularis ecdysone induced protein 78C 0.0077 0.0549 0.0571
Echinococcus granulosus dna polymerase eta 0.0044 0.0235 0.0235
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0077 0.0549 0.0549
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0077 0.0549 0.0892
Echinococcus multilocularis dna polymerase eta 0.0044 0.0235 0.0244
Brugia malayi nuclear hormone receptor family member odr-7 0.0036 0.0165 0.0268
Echinococcus multilocularis transcription factor Dp 1 0.0386 0.3487 0.3626
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0062 0.0101
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.004 0.0206 0.0214
Brugia malayi steroid hormone receptor 0.0077 0.0549 0.0892
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0062 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0077 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0077 0.0549 0.0892
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0667 0.6153 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0077 0.0549 0.0892
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0406 0.066
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0077 0.0549 0.0892
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.0077 0.0549 0.0892
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0077 0.0549 0.0892
Brugia malayi TAR-binding protein 0.0062 0.0406 0.066
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0077 0.0549 0.0892
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0667 0.6153 0.6153
Brugia malayi hypothetical protein 0.0024 0.0054 0.0088
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0667 0.6153 0.6399
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0077 0.0549 0.0571
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.0335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0077 0.0549 0.0549
Echinococcus granulosus tar DNA binding protein 0.0062 0.0406 0.0406
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0667 0.6153 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0077 0.0549 0.0571
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0062 0.0101
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Loa Loa (eye worm) DR-78 0.0036 0.0165 0.0268
Brugia malayi hypothetical protein 0.0035 0.0154 0.025
Loa Loa (eye worm) hypothetical protein 0.0024 0.0054 0.0088
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0406 0.066
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.0335
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0036 0.0165 0.0165
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0077 0.0549 0.0892
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0406 0.0406
Schistosoma mansoni flap endonuclease-1 0.0023 0.0039 0.0039
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0036 0.0165 0.0268
Echinococcus multilocularis nuclear receptor nhr 48 0.0036 0.0165 0.0171
Brugia malayi nuclear hormone receptor family member nhr-6 0.0036 0.0165 0.0268
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0235 0.0382
Brugia malayi Steroid receptor seven-up type 2 0.0077 0.0549 0.0892
Brugia malayi hypothetical protein 0.0036 0.0165 0.0268
Loa Loa (eye worm) steroid hormone receptor 0.0077 0.0549 0.0892
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.004 0.0206 0.0335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Schistosoma mansoni steroid hormone receptor ad4bp 0.0077 0.0549 0.0549
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0077 0.0549 0.0549
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0406 0.0422
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0406 0.066
Brugia malayi nuclear receptor NHR-88 0.0077 0.0549 0.0892
Loa Loa (eye worm) hypothetical protein 0.0036 0.0165 0.0268
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0077 0.0549 0.0892
Schistosoma mansoni nuclear receptor 0.0036 0.0165 0.0165
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0112 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0077 0.0549 0.0571

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 100 ug ml-1 Cytotoxicity against human A549 cells ChEMBL. 22200403

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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