Detailed information for compound 2188122

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.126 | Formula: C18H16N2O
  • H donors: 1 H acceptors: 0 LogP: 3.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: Cc1ccc(cc1)c1ccc(o1)c1ccc(cc1)C(=N)N
  • InChi: InChI=1S/C18H16N2O/c1-12-2-4-13(5-3-12)16-10-11-17(21-16)14-6-8-15(9-7-14)18(19)20/h2-11H,1H3,(H3,19,20)
  • InChiKey: SHIUQFRACHBTMM-UHFFFAOYSA-N  


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
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 1 1
Plasmodium falciparum metacaspase 1 0.0053 0.1964 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0037 0.0446 0.0446
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.1964 0.3935
Schistosoma mansoni hypothetical protein 0.005 0.1628 0.1237
Echinococcus granulosus protein arginine N methyltransferase 8 0.0037 0.0446 0.0446
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3785 0.3495
Trypanosoma cruzi metacaspase, putative 0.0053 0.1964 0.3935
Leishmania major DNA polymerase eta, putative 0.0041 0.0808 0.1064
Plasmodium vivax hypothetical protein, conserved 0.0053 0.1964 1
Trypanosoma brucei unspecified product 0.0065 0.3017 0.7835
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3785 1
Echinococcus granulosus caspase 3 0.0088 0.5112 0.5112
Loa Loa (eye worm) hypothetical protein 0.005 0.1628 0.1437
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Schistosoma mansoni DNA polymerase eta 0.0041 0.0808 0.0378
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.2988 0.3819
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3785 0.9815
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.0808 0.0808
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.1172 0.2358
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Brugia malayi hypothetical protein 0.0058 0.2345 0.2693
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.3746 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.3842 1
Echinococcus granulosus dna polymerase kappa 0.0073 0.3746 0.3746
Echinococcus granulosus caspase 8 0.0053 0.1964 0.1964
Trypanosoma brucei metacaspase MCA2 0.0053 0.1964 0.4708
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Schistosoma mansoni caspase-7 (C14 family) 0.0141 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.3842 0.3842
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0058 0.2345 0.5231
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.6516 0.6354
Trypanosoma brucei metacaspase 0.0053 0.1964 0.4708
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.1537 0.3439
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.3746 1
Trypanosoma brucei metacaspase 5, putative 0.0053 0.1964 0.4708
Echinococcus granulosus protein arginine methyltransferase 0.0037 0.0446 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3785 0.3785
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0808 0.1275
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trypanosoma brucei Metacaspase-4 0.0053 0.1964 0.4708
Echinococcus granulosus caspase 2 0.0103 0.6516 0.6516
Plasmodium falciparum metacaspase-like protein 0.0053 0.1964 1
Brugia malayi polk-prov protein 0.0045 0.1172 0.0639
Trypanosoma brucei metacaspase MCA3 0.0053 0.1964 0.4708
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.3746 1
Brugia malayi hypothetical protein 0.005 0.1628 0.1437
Trichomonas vaginalis DNA polymerase eta, putative 0.0073 0.3746 1
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0058 0.2345 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Echinococcus multilocularis protein arginine methyltransferase 0.0037 0.0446 0.0446
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.3746 1
Echinococcus multilocularis caspase 2 0.0103 0.6516 0.6516
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.3842 0.3842
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Echinococcus multilocularis caspase 8 0.0053 0.1964 0.1964
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.1628 0.1628
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0058 0.2345 0.5231
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.3842 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0058 0.2345 0.5839
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.1964 0.4545
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0049 0.1537 0.3211
Echinococcus multilocularis caspase 3 0.0088 0.5112 0.5112
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3785 0.3495
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3785 0.4122
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0073 0.3746 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0808 0.0378
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.3842 0.5315
Giardia lamblia DINP protein human, muc B family 0.0049 0.1537 0.5
Trypanosoma cruzi metacaspase, putative 0.0053 0.1964 0.3935
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3785 0.4122
Echinococcus multilocularis dna polymerase eta 0.0041 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0053 0.1964 0.2025
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Echinococcus multilocularis caspase 0.0141 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3785 0.4122
Plasmodium vivax metacaspase 1, putative 0.0053 0.1964 1
Trypanosoma cruzi metacaspase, putative 0.0053 0.1964 0.3935
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3785 0.9835
Loa Loa (eye worm) hypothetical protein 0.0103 0.6516 1
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.3017 0.7835
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3785 0.3785
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.3842 1
Echinococcus multilocularis dna polymerase kappa 0.0073 0.3746 0.3746
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.1628 0.1628
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0049 0.1537 0.2403
Leishmania major metacaspase, putative 0.0053 0.1964 0.447
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.1964 0.4599
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.6516 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.0808 0.0808
Echinococcus granulosus caspase 0.0141 1 1
Entamoeba histolytica hypothetical protein 0.0058 0.2345 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.0808 0.0378
Schistosoma mansoni caspase-3 (C14 family) 0.0141 1 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.1964 0.4545
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.1964 0.1588
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.1964 0.2025
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.3746 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.1172 0.2358
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.1964 0.3935
Brugia malayi Cell death protein 3 precursor 0.0103 0.6516 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.3842 0.3554
Loa Loa (eye worm) hypothetical protein 0.0045 0.1172 0.0639
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.1964 0.4545
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.1964 0.4599
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.3746 1
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.3746 1
Echinococcus granulosus dna polymerase eta 0.0041 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0058 0.2345 0.2693
Leishmania major DNA polymerase kappa, putative 0.0049 0.1537 0.3211
Trypanosoma cruzi metacaspase, putative 0.0053 0.1964 0.3935
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.3842 1

Activities

No activities found for this compound.

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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