Detailed information for compound 1816249

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 541.745 | Formula: C23H17BrClF3N2O3
  • H donors: 0 H acceptors: 2 LogP: 6.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1c(c2ccc(cc2)Cl)n(c(c1Br)C(F)(F)F)COC(=O)C(Oc1cccc(c1)C)C
  • InChi: 1S/C23H17BrClF3N2O3/c1-13-4-3-5-17(10-13)33-14(2)22(31)32-12-30-20(15-6-8-16(25)9-7-15)18(11-29)19(24)21(30)23(26,27)28/h3-10,14H,12H2,1-2H3
  • InChiKey: GXIZWKSXOGSHDH-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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0059 0.0938 0.0938
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0062 0.0062
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Plasmodium falciparum methionine aminopeptidase 2 0.0478 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.1934 0.8837
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Plasmodium falciparum aminopeptidase P 0.0059 0.0938 0.0938
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0059 0.0938 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0653 0.0653
Trypanosoma brucei unspecified product 0.0019 0.0062 0.0062
Plasmodium falciparum glutathione reductase 0.0046 0.0653 0.0653
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0653 0.0653
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Treponema pallidum methionine aminopeptidase (map) 0.0059 0.0938 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0478 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0478 1 1
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0059 0.0938 0.0938
Loa Loa (eye worm) glutathione reductase 0.0046 0.0653 0.0595
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0062 0.0062
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0478 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0059 0.0938 0.0938
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Brugia malayi Thioredoxin reductase 0.0046 0.0653 0.0653
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0059 0.0938 0.0938
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0062 0.0062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0621 0.0621
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0059 0.0938 0.0938
Leishmania major DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Echinococcus granulosus methionine aminopeptidase type I 0.0059 0.0938 0.0938
Schistosoma mansoni DNA polymerase eta 0.0019 0.0062 0.0062
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0653 0.2985
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0478 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0059 0.0938 0.0938
Loa Loa (eye worm) hypothetical protein 0.0059 0.0938 0.0882
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.1934 0.8837
Toxoplasma gondii creatinase domain-containing protein 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0062 0.0062
Plasmodium vivax FACT complex subunit SPT16, putative 0.0059 0.0938 0.0938
Entamoeba histolytica aminopeptidase, putative 0.0059 0.0938 0.0882
Toxoplasma gondii thioredoxin reductase 0.0046 0.0653 0.0653
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Mycobacterium ulcerans methionine aminopeptidase 0.0059 0.0938 1
Mycobacterium ulcerans dipeptidase PepE 0.0059 0.0938 1
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0062 0.0062
Mycobacterium tuberculosis Probable cytoplasmic peptidase PepQ 0.0059 0.0938 0.4287
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0059 0.0938 1
Giardia lamblia Methionine aminopeptidase 0.0478 1 1
Trypanosoma cruzi aminopeptidase P, putative 0.0059 0.0938 0.0938
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0059 0.0938 0.0938
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0059 0.0938 0.0938
Mycobacterium tuberculosis Probable reductase 0.0105 0.1934 0.8837
Chlamydia trachomatis methionine aminopeptidase 0.0059 0.0938 1
Echinococcus multilocularis methionine aminopeptidase, type I 0.0059 0.0938 0.0938
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0062 0.0656
Giardia lamblia Xaa-Pro dipeptidase 0.0059 0.0938 0.0938
Treponema pallidum aminopeptidase P 0.0059 0.0938 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Brugia malayi glutathione reductase 0.0046 0.0653 0.0653
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0059 0.0938 0.0938
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0062 0.0281
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0653 0.0595
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Echinococcus granulosus methionyl aminopeptidase 2 0.0478 1 1
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0478 1 1
Echinococcus multilocularis xaa Pro dipeptidase 0.0059 0.0938 0.0938
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0059 0.0938 0.0938
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0059 0.0938 0.0938
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0062 0.0062
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0059 0.0938 0.0938
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0059 0.0938 0.0938
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0059 0.0938 0.0938
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0621 0.0562
Entamoeba histolytica peptidase, putative 0.0059 0.0938 0.0882
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0478 1 1
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0059 0.0938 0.0938
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0059 0.0938 0.0938
Loa Loa (eye worm) methionine aminopeptidase type I 0.0059 0.0938 0.0882
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0621 0.0621
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.1934 0.8837
Echinococcus multilocularis xaa Pro dipeptidase 0.0059 0.0938 0.0938
Trypanosoma cruzi Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative 0.0059 0.0938 0.0938
Leishmania major trypanothione reductase 0.0046 0.0653 0.0653
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0059 0.0938 0.0882
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.2188 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0621 0.0621
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0062 0.0062
Echinococcus multilocularis FACT complex subunit SPT16 0.0059 0.0938 0.0938
Chlamydia trachomatis aminopeptidase P 0.0059 0.0938 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0062 0.0656
Toxoplasma gondii peptidase D, putative 0.0059 0.0938 0.0938
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0059 0.0938 0.0938
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0059 0.0938 0.0938
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0062 0.0062
Entamoeba histolytica methionine aminopeptidase, putative 0.0478 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0062 0.0062
Trypanosoma brucei methionine aminopeptidase, putative 0.0059 0.0938 0.0938
Echinococcus multilocularis dna polymerase eta 0.0019 0.0062 0.0062
Echinococcus multilocularis Proliferation associated protein 2G4 0.0059 0.0938 0.0938
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0621 0.0621
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.1934 0.8837
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0062 0.0062
Plasmodium vivax methionine aminopeptidase 2, putative 0.0478 1 1
Brugia malayi metallopeptidase family M24 containing protein 0.0059 0.0938 0.0938
Echinococcus granulosus xaa Pro dipeptidase 0.0059 0.0938 0.0938
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0062 0.0062
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0478 1 1
Leishmania major aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Loa Loa (eye worm) DNA-binding protein 0.0059 0.0938 0.0882
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0059 0.0938 0.0938
Trypanosoma cruzi Metallopeptidase family M24, putative 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0621 0.0621
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0621 0.0621
Toxoplasma gondii methionine aminopeptidase 0.0059 0.0938 0.0938
Giardia lamblia DINP protein human, muc B family 0.0019 0.0062 0.0062
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0059 0.0938 0.0938
Plasmodium falciparum thioredoxin reductase 0.0046 0.0653 0.0653
Echinococcus multilocularis xaa pro aminopeptidase 0.0059 0.0938 0.0938
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0059 0.0938 0.0938
Leishmania major transcription factor-like protein 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0478 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0062 0.0062
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0062 0.0062
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0062 0.0281
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0478 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.2188 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0059 0.0938 0.4287
Trypanosoma brucei trypanothione reductase 0.0046 0.0653 0.0653
Mycobacterium tuberculosis Dipeptidase PepE 0.0059 0.0938 0.4287
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Mycobacterium ulcerans dipeptidase 0.0059 0.0938 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0059 0.0938 0.0882
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0478 1 1
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0059 0.0938 0.0938
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0059 0.0938 0.0938
Echinococcus granulosus Proliferation associated protein 2G4 0.0059 0.0938 0.0938
Trypanosoma cruzi aminopeptidase P1, putative 0.0059 0.0938 0.0938
Brugia malayi metallopeptidase family M24 containing protein 0.0059 0.0938 0.0938
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Brugia malayi Methionine aminopeptidase protein type I 0.0059 0.0938 0.0938
Echinococcus granulosus FACT complex subunit SPT16 0.0059 0.0938 0.0938
Entamoeba histolytica hypothetical protein, conserved 0.0059 0.0938 0.0882
Echinococcus granulosus dna polymerase eta 0.0019 0.0062 0.0062
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0062 0.0062
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0059 0.0938 0.0882
Echinococcus granulosus xaa pro aminopeptidase 0.0059 0.0938 0.0938
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.2188 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Schistosoma mansoni peptidase 0.0059 0.0938 0.0938
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0062 0.0062
Mycobacterium ulcerans aminopeptidase 0.0059 0.0938 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0478 1 1
Toxoplasma gondii methionine aminopeptidase 0.0059 0.0938 0.0938
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.1934 0.8837
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.1934 0.7964
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0059 0.0938 0.0938
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0059 0.0938 0.0938
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Echinococcus granulosus xaa Pro dipeptidase 0.0059 0.0938 0.0938
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0478 1 1
Toxoplasma gondii transcriptional elongation factor FACT140 0.0059 0.0938 0.0938
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0653 0.0653
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0059 0.0938 0.0938
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.2188 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0062 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0621 0.0621
Leishmania major DNA polymerase eta, putative 0.0019 0.0062 0.0062
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0478 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0059 0.0938 0.0938
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0059 0.0938 0.4287
Plasmodium vivax peptidase, putative 0.0059 0.0938 0.0938
Leishmania major hypothetical protein, conserved 0.0059 0.0938 0.0938
Leishmania major methionine aminopeptidase 2, putative 0.0478 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0059 0.0938 0.0882
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Giardia lamblia Xaa-Pro dipeptidase 0.0059 0.0938 0.0938
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0059 0.0938 0.0938
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0059 0.0938 0.0938
Trypanosoma brucei Facilitates chromatin transcription complex subunit spt16 0.0059 0.0938 0.0938
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0653 0.0653
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0059 0.0938 0.0938
Mycobacterium ulcerans cytoplasmic peptidase PepQ 0.0059 0.0938 1
Trypanosoma brucei Metallopeptidase family M24, putative 0.0059 0.0938 0.0938
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0653 0.0653
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0059 0.0938 1
Brugia malayi metallopeptidase family M24 containing protein 0.0059 0.0938 0.0938

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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