Detailed information for compound 1795147

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.279 | Formula: C17H10FN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)c1c2nc[nH]c(=O)c2c2n1cccc2
  • InChi: 1S/C17H10FN3O2/c18-11-6-4-10(5-7-11)16(22)15-14-13(17(23)20-9-19-14)12-3-1-2-8-21(12)15/h1-9H,(H,19,20,23)
  • InChiKey: ITBWLJXXINLTOA-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
Brugia malayi polk-prov protein 0.0039 0.0492 0.0639
Echinococcus granulosus dna polymerase kappa 0.0063 0.1573 0.3746
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0064 0.1614 0.3554
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0064 0.1614 1
Echinococcus granulosus caspase 3 0.0076 0.2147 0.5112
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0825 0.3935
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0035 0.0339 0.0808
Schistosoma mansoni terminal deoxycytidyl transferase 0.0035 0.0339 0.0378
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.159 0.3495
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0042 0.0645 0.2403
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Echinococcus granulosus caspase 2 0.0089 0.2737 0.6516
Trichomonas vaginalis DNA polymerase eta, putative 0.0063 0.1573 0.1412
Echinococcus granulosus caspase 0.0122 0.42 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0032 0.0187 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0063 0.1577 0.1416
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.1614 0.3842
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0063 0.1573 0.1412
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0492 0.2358
Trypanosoma cruzi metacaspase, putative 0.0046 0.0825 0.3935
Entamoeba histolytica hypothetical protein 0.0063 0.1577 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0035 0.0339 0.0378
Echinococcus granulosus protein arginine N methyltransferase 8 0.0032 0.0187 0.0446
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.005 0.0985 0.5216
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.005 0.0985 0.5839
Giardia lamblia NADPH oxidoreductase, putative 0.0252 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0825 0.4545
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trypanosoma cruzi DNA polymerase kappa, putative 0.0063 0.1573 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.159 0.9815
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0492 0.2358
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.159 0.4122
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trypanosoma brucei DNA polymerase IV, putative 0.0056 0.1267 0.7835
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0252 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0645 0.3211
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.159 0.3785
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Brugia malayi hypothetical protein 0.0043 0.0684 0.1437
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.1614 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Plasmodium vivax metacaspase 1, putative 0.0046 0.0825 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0046 0.0825 0.2025
Entamoeba histolytica modulator of drug activity B homolog, putative 0.0063 0.1577 1
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.0063 0.1577 0.1416
Brugia malayi Cell death protein 3 precursor 0.0089 0.2737 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Onchocerca volvulus Cell death protein 3 homolog 0.0089 0.2737 1
Trypanosoma cruzi metacaspase, putative 0.0046 0.0825 0.3935
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Loa Loa (eye worm) hypothetical protein 0.005 0.0985 0.2693
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0684 0.1437
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Schistosoma mansoni hypothetical protein 0.0043 0.0684 0.1237
Trypanosoma cruzi metacaspase 5, putative 0.0046 0.0825 0.3935
Echinococcus multilocularis caspase 8 0.0046 0.0825 0.1964
Plasmodium falciparum metacaspase 1 0.0046 0.0825 1
Trypanosoma brucei DNA polymerase IV, putative 0.0063 0.1573 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0122 0.42 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.2737 1
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0645 0.3439
Echinococcus multilocularis caspase 0.0122 0.42 1
Echinococcus granulosus dna polymerase eta 0.0035 0.0339 0.0808
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0122 0.42 1
Echinococcus multilocularis protein arginine methyltransferase 0.0032 0.0187 0.0446
Loa Loa (eye worm) hypothetical protein 0.0046 0.0825 0.2025
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.1614 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0064 0.1614 0.3842
Echinococcus multilocularis dna polymerase kappa 0.0063 0.1573 0.3746
Leishmania major DNA polymerase eta, putative 0.0035 0.0339 0.1064
Trypanosoma cruzi metacaspase, putative 0.0046 0.0825 0.3935
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Trypanosoma brucei Metacaspase-4 0.0046 0.0825 0.4708
Echinococcus granulosus caspase 8 0.0046 0.0825 0.1964
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0825 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.159 0.3495
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0252 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Brugia malayi hypothetical protein 0.005 0.0985 0.2693
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trypanosoma brucei DNA polymerase eta, putative 0.0035 0.0339 0.1275
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Loa Loa (eye worm) hypothetical protein 0.0039 0.0492 0.0639
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.159 0.4122
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Echinococcus granulosus protein arginine methyltransferase 0.0032 0.0187 0.0446
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Echinococcus multilocularis caspase 2 0.0089 0.2737 0.6516
Leishmania major DNA polymerase kappa, putative 0.0042 0.0645 0.3211
Plasmodium falciparum metacaspase-like protein 0.0046 0.0825 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.159 0.4122
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.1614 1
Schistosoma mansoni DNA polymerase eta 0.0035 0.0339 0.0378
Trypanosoma brucei metacaspase MCA3 0.0046 0.0825 0.4708
Echinococcus multilocularis apoptotic protease activating factor 1 0.0043 0.0684 0.1628
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trypanosoma cruzi metacaspase, putative 0.0046 0.0825 0.3935
Schistosoma mansoni caspase-3 (C14 family) 0.0122 0.42 1
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.0063 0.1577 1
Leishmania major metacaspase, putative 0.0046 0.0825 0.447
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0825 0.4545
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.7195 0.7141
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Giardia lamblia NADPH oxidoreductase, putative 0.0252 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.1614 0.5315
Trypanosoma cruzi DNA polymerase kappa, putative 0.0063 0.1573 1
Trypanosoma brucei unspecified product 0.0056 0.1267 0.7835
Trichomonas vaginalis conserved hypothetical protein 0.0252 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0035 0.0339 0.0808
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Trypanosoma brucei metacaspase 5, putative 0.0046 0.0825 0.4708
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0046 0.0825 0.1588
Schistosoma mansoni caspase-7 (C14 family) 0.0089 0.2737 0.6354
Trypanosoma brucei DNA polymerase IV, putative 0.0063 0.1573 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.159 0.9835
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416
Schistosoma mansoni caspase-7 (C14 family) 0.0122 0.42 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.005 0.0985 0.5231
Trypanosoma cruzi DNA polymerase kappa, putative 0.0063 0.1573 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0252 1 1
Echinococcus multilocularis dna polymerase eta 0.0035 0.0339 0.0808
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0046 0.0825 0.065
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1255 0.3819
Trypanosoma cruzi arginine N-methyltransferase, putative 0.005 0.0985 0.5231
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0046 0.0825 0.4545
Trypanosoma brucei metacaspase 0.0046 0.0825 0.4708
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.159 1
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.1577 0.1416
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.159 0.3785
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0825 0.065
Entamoeba histolytica hypothetical protein 0.005 0.0985 0.5216
Trypanosoma brucei metacaspase MCA2 0.0046 0.0825 0.4708
Trypanosoma brucei DNA polymerase kappa, putative 0.0063 0.1573 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0043 0.0684 0.1628
Echinococcus multilocularis caspase 3 0.0076 0.2147 0.5112
Trypanosoma cruzi DNA polymerase kappa, putative 0.0063 0.1573 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0063 0.1577 0.1416

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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