Detailed information for compound 1042164

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.334 | Formula: C19H15FN2O
  • H donors: 2 H acceptors: 1 LogP: 4.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(\c1ccccc1c1ccccc1)/Nc1ccc(cc1)F
  • InChi: 1S/C19H15FN2O/c20-15-10-12-16(13-11-15)21-19(22-23)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H,21,22)
  • InChiKey: POPNISUCQUYUDA-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 cysteine peptidase, putative 0.0022 0.0996 0.8507
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.1618 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.076 0.6129
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.076 0.6129
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.076 0.0354
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.076 0.6129
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Echinococcus multilocularis bloom syndrome protein 0.0045 0.279 1
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Brugia malayi Bloom's syndrome protein homolog 0.0045 0.279 1
Brugia malayi Cathepsin L-like precursor 0.0015 0.0421 0.1018
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0022 0.0996 0.382
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.076 0.6129
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.076 0.6129
Entamoeba histolytica cysteine proteinase, putative 0.0015 0.0421 0.2044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Loa Loa (eye worm) ctsf protein 0.0022 0.0996 0.06
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Onchocerca volvulus Cathepsin L homolog 0.0022 0.0996 1
Brugia malayi cathepsin L-like precursor 0.0015 0.0421 0.1018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0153 0.0741
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.076 0.3691
Trypanosoma brucei unspecified product 0.0013 0.0294 0.1421
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1144 1
Loa Loa (eye worm) fibroinase 0.0022 0.0996 0.06
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0996 0.4836
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.0996 0.3199
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0715 0.2133
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Echinococcus multilocularis cysteine protease 0.0022 0.0996 0.3199
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0996 0.8507
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.206 0.7232
Entamoeba histolytica cysteine proteinase 2 0.0012 0.0153 0.0741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Brugia malayi Cathepsin L-like cysteine proteinase 0.0015 0.0421 0.1018
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0153 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.206 0.7232
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.004 0.2361 1
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.076 0.2304
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trichomonas vaginalis DNA helicase recq, putative 0.0045 0.279 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.076 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0996 0.8507
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Giardia lamblia DINP protein human, muc B family 0.0019 0.076 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.076 0.2304
Schistosoma mansoni hypothetical protein 0.0036 0.206 1
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.0996 0.3199
Onchocerca volvulus Cathepsin L homolog 0.0022 0.0996 1
Entamoeba histolytica hypothetical protein 0.0036 0.206 1
Echinococcus multilocularis cysteine protease 0.0022 0.0996 0.3199
Schistosoma mansoni DNA helicase recq1 0.0019 0.0715 0.3471
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0715 0.2133
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0022 0.0996 0.382
Loa Loa (eye worm) RecQ helicase 0.0045 0.279 0.2473
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei unspecified product 0.0019 0.076 0.6129
Trichomonas vaginalis DNA helicase recq1, putative 0.0045 0.279 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0294 0.1421
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0715 0.2133
Echinococcus granulosus dna polymerase kappa 0.0019 0.076 0.2304
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.076 0.6129
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0294 0.1421
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Onchocerca volvulus 0.0022 0.0996 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.076 0.6129
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0715 0.2133
Toxoplasma gondii cathepsin CPL 0.0022 0.0996 0.6159
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0996 0.3199
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Schistosoma mansoni cathepsin F (C01 family) 0.0015 0.0421 0.2044
Schistosoma mansoni blooms syndrome DNA helicase 0.0036 0.2047 0.9934
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Brugia malayi hypothetical protein 0.0036 0.206 0.7232
Echinococcus multilocularis dna polymerase eta 0.0019 0.076 0.2304
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0153 0.0741
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0715 0.2133
Plasmodium vivax vivapain-2 0.0022 0.0996 0.565
Echinococcus granulosus dna polymerase eta 0.0019 0.076 0.2304
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0996 0.4836
Onchocerca volvulus 0.0022 0.0996 1
Entamoeba histolytica recQ family helicase, putative 0.0024 0.1144 0.5554
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.076 0.3691
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0294 0.1421
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.076 0.5
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Echinococcus granulosus bloom syndrome protein 0.0045 0.279 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Loa Loa (eye worm) cysteine protease 0.0022 0.0996 0.06
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Schistosoma mansoni DNA polymerase eta 0.0019 0.076 0.3691
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0996 0.8507
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0019 0.0715 0.2547
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.076 0.5
Trypanosoma brucei unspecified product 0.0013 0.0294 0.1421
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0996 0.4836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0996 0.8507
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0031 0.1646 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0715 0.0307
Onchocerca volvulus 0.0022 0.0996 1
Brugia malayi Cathepsin L-like precursor 0.0015 0.0421 0.1018
Echinococcus multilocularis dna polymerase kappa 0.0019 0.076 0.2304
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0996 0.4836
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Entamoeba histolytica cysteine proteinase 1, putative 0.0012 0.0153 0.0741
Onchocerca volvulus Cathepsin F homolog 0.0022 0.0996 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.076 0.2304
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.076 0.6129
Loa Loa (eye worm) hypothetical protein 0.0019 0.0715 0.0307
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Onchocerca volvulus 0.0022 0.0996 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.0996 0.06
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.076 0.6129
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0153 0.0741
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.0996 0.3199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0715 0.4422
Loa Loa (eye worm) hypothetical protein 0.0022 0.0996 0.06
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.206 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0996 0.3199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.0996 0.8507
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.076 0.3691
Plasmodium falciparum cysteine proteinase falcipain 3 0.0022 0.0996 0.382
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.076 0.2304
Entamoeba histolytica cysteine protease, putative 0.0022 0.0996 0.4836
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1144 1
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0421 0.1018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Schistosoma mansoni DNA helicase recq5 0.0019 0.0715 0.3471
Entamoeba histolytica hypothetical protein 0.0036 0.206 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0715 0.4422
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.0996 0.06
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0015 0.0421 0.2707
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.076 0.2304
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Entamoeba histolytica hypothetical protein 0.0036 0.206 1
Leishmania major cysteine peptidase A (CPA) 0.0022 0.0996 0.6144
Onchocerca volvulus 0.0022 0.0996 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.076 0.2304
Onchocerca volvulus 0.0022 0.0996 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.076 0.5
Onchocerca volvulus 0.0022 0.0996 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0996 0.3199
Brugia malayi Cathepsin L-like precursor 0.0022 0.0996 0.3199
Plasmodium vivax vivapain-2 0.0022 0.0996 0.565
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0012 0.0153 0.0741
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0715 0.2133
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.1144 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0015 0.0421 0.1018
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0996 0.3199
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1144 0.376
Treponema pallidum ATP-dependent DNA helicase 0.001 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0153 0.0741
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.076 0.6129
Leishmania major cathepsin L-like protease 0.0022 0.0996 0.6144
Loa Loa (eye worm) hypothetical protein 0.0019 0.076 0.0354
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0153 0.0741
Echinococcus granulosus cathepsin l1 0.0015 0.0421 0.1018
Echinococcus granulosus cathepsin l1 0.0022 0.0996 0.3199
Entamoeba histolytica cysteine protease, putative 0.0012 0.0153 0.0741
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0996 0.3199
Entamoeba histolytica hypothetical protein 0.0036 0.206 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.46 ug/ml DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro ChEMBL. No reference
IC50 > 50 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, CYTO-SP, 24 hour ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense
Trypanosoma brucei 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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