Detailed information for compound 25868

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.27 | Formula: C18H19Cl2N3--
  • H donors: 2 H acceptors: 1 LogP: 3.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCNCc1ccc2c(c1)ccc(n2)c1ccccc1.[Cl-].[Cl-]
  • InChi: 1S/C18H19N3.2ClH/c19-10-11-20-13-14-6-8-18-16(12-14)7-9-17(21-18)15-4-2-1-3-5-15;;/h1-9,12,20H,10-11,13,19H2;2*1H/p-2
  • InChiKey: ICDQCQZLCICXEM-UHFFFAOYSA-L  


Substructure search Similarity search

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
Loa Loa (eye worm) prolyl oligopeptidase 0.0058 0.0513 0.0654
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.076 0.097
Schistosoma mansoni serine/threonine protein kinase 0.0254 0.3394 0.3394
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0166 0.0166
Brugia malayi prolyl oligopeptidase family protein 0.0058 0.0513 0.0654
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0124 0.0158
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0585 0.0585
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0221 0.291 0.3711
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0166
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0419 0.8172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0338 0.0431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0338 0.0338
Trypanosoma cruzi oligopeptidase b 0.0221 0.291 0.3711
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0166 0.0166
Plasmodium vivax importin-beta 2, putative 0.0032 0.0124 0.2122
Entamoeba histolytica prolyl oligopeptidase family protein 0.0058 0.0513 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0323 0.0412
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0607 0.0607
Brugia malayi prolyl oligopeptidase family protein 0.0058 0.0513 0.0654
Plasmodium falciparum importin beta, putative 0.0032 0.0124 0.2421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0338 0.0338
Leishmania major hypothetical protein, conserved 0.0052 0.0419 0.0534
Loa Loa (eye worm) hypothetical protein 0.0063 0.0585 0.0746
Toxoplasma gondii hypothetical protein 0.0058 0.0513 0.0654
Entamoeba histolytica prolyl oligopeptidase family protein 0.0058 0.0513 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0607 0.0607
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0585 0.0746
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0338 0.0338
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0557 0.7842 0.7842
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0144 0.1774 0.2262
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0058 0.0513 0.0513
Schistosoma mansoni hypothetical protein 0.0704 1 1
Trypanosoma cruzi oligopeptidase b 0.0221 0.291 0.3711
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0035 0.005
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0221 0.291 0.3711
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0058 0.0513 0.0654
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0513 0.0654
Echinococcus multilocularis prolyl endopeptidase 0.0557 0.7842 0.7842
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0058 0.0513 0.0728
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0058 0.0513 0.0728
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0323 0.0412
Echinococcus granulosus Dipeptidyl peptidase 9 0.0058 0.0513 0.0513
Plasmodium vivax SET domain protein, putative 0.0063 0.0585 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0419 0.0534
Schistosoma mansoni hypothetical protein 0.0075 0.076 0.076
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0551 0.0551
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0166
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0607 0.0775
Onchocerca volvulus 0.0502 0.7041 0.8908
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0338 0.0338
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0124 0.0159
Trypanosoma brucei prolyl endopeptidase 0.0557 0.7842 1
Brugia malayi Pre-SET motif family protein 0.0441 0.6145 0.7836
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0058 0.0513 0.0654
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0166 0.0166
Echinococcus multilocularis geminin 0.0704 1 1
Trypanosoma brucei oligopeptidase b 0.0221 0.291 0.3711
Echinococcus multilocularis raf serine:threonine protein kinase 0.0254 0.3394 0.3394
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0585 0.0585
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0221 0.291 0.3711
Brugia malayi prolyl oligopeptidase family protein 0.0058 0.0513 0.0654
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0058 0.0513 0.0513
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0585 0.0585
Onchocerca volvulus Prolyl endopeptidase homolog 0.0557 0.7842 1
Echinococcus granulosus raf serine:threonine protein kinase 0.0254 0.3394 0.3394
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0058 0.0513 0.0654
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0338 0.0338
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0058 0.0513 0.0513
Echinococcus granulosus snurportin 1 0.0341 0.4674 0.4674
Leishmania major oligopeptidase b 0.0221 0.291 0.3711
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0035 0.005
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0058 0.0513 0.0513
Loa Loa (eye worm) hypothetical protein 0.0035 0.0166 0.0212
Brugia malayi Raf kinase 0.0245 0.3263 0.4161
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0607 0.0607
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0585 0.0585
Brugia malayi RNA, U transporter 1 0.0091 0.0991 0.1264
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0221 0.291 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0419 0.8172
Entamoeba histolytica prolyl oligopeptidase family protein 0.0058 0.0513 1
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0513 0.0728
Loa Loa (eye worm) hypothetical protein 0.0058 0.0513 0.0654
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0513 0.0654
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0166 0.0212
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0419 0.7164
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0166
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0124 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0607 0.0607
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0323 0.0412
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0058 0.0513 0.0513
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0124 0.0158
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0419 0.0534
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0341 0.4674 0.596
Giardia lamblia Alanyl dipeptidyl peptidase 0.0058 0.0513 1
Entamoeba histolytica hypothetical protein 0.0026 0.0035 0.0687
Plasmodium falciparum peptidase, putative 0.0058 0.0513 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0338 0.0338
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0058 0.0513 1
Loa Loa (eye worm) raf kinase 0.0253 0.3375 0.4304
Schistosoma mansoni importin beta-1 0.0032 0.0124 0.0124
Leishmania major importin beta-1 subunit, putative 0.0026 0.0035 0.0045
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0166
Brugia malayi Pre-SET motif family protein 0.0063 0.0585 0.0746
Schistosoma mansoni hypothetical protein 0.0341 0.4674 0.4674
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0221 0.291 0.3711
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0585 0.0585
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0058 0.0513 0.0654
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.1273 0.1623
Echinococcus granulosus importin subunit beta 1 0.0032 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0058 0.0513 0.0654
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0323 0.0412
Trypanosoma brucei prolyl oligopeptidase, putative 0.0221 0.291 0.3711
Toxoplasma gondii prolyl endopeptidase 0.0557 0.7842 1
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0124 0.0124
Entamoeba histolytica hypothetical protein, conserved 0.0058 0.0513 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0058 0.0513 0.0513
Brugia malayi RNA binding protein 0.0065 0.0607 0.0775
Schistosoma mansoni DNA polymerase eta 0.0046 0.0323 0.0323
Loa Loa (eye worm) hypothetical protein 0.0032 0.0124 0.0158
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0607 0.0775
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0166 0.0212
Trypanosoma cruzi prolyl endopeptidase 0.0557 0.7842 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0124 0.0159
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0585 0.0585
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0166 0.0166
Leishmania major DNA polymerase eta, putative 0.0032 0.0124 0.0159
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0419 0.0534
Echinococcus granulosus tar DNA binding protein 0.0065 0.0607 0.0607
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0058 0.0513 0.0654
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0058 0.0513 0.0513
Brugia malayi TAR-binding protein 0.0065 0.0607 0.0775
Echinococcus granulosus acylamino acid releasing enzyme 0.0058 0.0513 0.0513
Loa Loa (eye worm) RNA binding protein 0.0065 0.0607 0.0775
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0058 0.0513 0.0513
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0058 0.0513 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0058 0.0513 0.0654
Leishmania major DNA polymerase eta, putative 0.0046 0.0323 0.0412
Brugia malayi prolyl oligopeptidase family protein 0.0557 0.7842 1
Echinococcus multilocularis GPCR, family 2 0.0035 0.0166 0.0166
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0585 0.0585
Onchocerca volvulus 0.0063 0.0585 0.0099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.1273 0.1623
Brugia malayi prolyl oligopeptidase family protein 0.0058 0.0513 0.0654
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.1273 0.1623
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0441 0.6145 0.7836
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0498 0.6983 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0058 0.0513 0.0654
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0058 0.0513 0.0654
Brugia malayi hypothetical protein 0.0052 0.0419 0.0534
Loa Loa (eye worm) hypothetical protein 0.0052 0.0419 0.0534
Echinococcus granulosus dna polymerase eta 0.0046 0.0323 0.0323
Brugia malayi Importin beta-1 subunit 0.0032 0.0124 0.0158
Schistosoma mansoni hypothetical protein 0.0704 1 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0221 0.291 0.5
Loa Loa (eye worm) hypothetical protein 0.0557 0.7842 1
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0419 0.0534
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0035 0.005
Echinococcus multilocularis snurportin 1 0.0341 0.4674 0.4674
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0557 0.7842 1
Echinococcus multilocularis dna polymerase eta 0.0046 0.0323 0.0323
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0607 0.0607
Brugia malayi hypothetical protein 0.0034 0.0148 0.0189
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0338 0.0431
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0338 0.0338
Loa Loa (eye worm) prolyl oligopeptidase 0.0058 0.0513 0.0654
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0607 0.0775
Echinococcus granulosus GPCR family 2 0.0035 0.0166 0.0166
Giardia lamblia Alanyl dipeptidyl peptidase 0.0058 0.0513 1
Trichomonas vaginalis set domain proteins, putative 0.0502 0.7041 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.076 0.097
Loa Loa (eye worm) hypothetical protein 0.011 0.1273 0.1623
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0035 0.0045
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0557 0.7842 0.7842
Echinococcus granulosus prolyl endopeptidase 0.0557 0.7842 0.7842
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0513 0.8766
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0607 0.0607
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0166 0.0212

Activities

Activity type Activity value Assay description Source Reference
Cell survival (functional) = 0 % Compound was tested for antitumor activity against the human uterine cancer cell (HeLa) line at concentration of 11 x 10 e-4 M ChEMBL. 9871743
Cell survival (functional) = 44 % Compound was tested for antitumor activity against the human uterine cancer cell (HeLa) line at concentration of 11 x 10 e-5 M ChEMBL. 9871743
Cell survival (functional) = 82 % Compound was tested for antitumor activity against the human uterine cancer cell (HeLa) line at concentration of 1 x 10 e-6 M ChEMBL. 9871743
Cell survival (functional) = 85 % Compound was tested for antitumor activity against the human uterine cancer cell (HeLa) line at concentration of 1 x 10 e-7 M ChEMBL. 9871743

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

1 literature reference was collected for this gene.

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