Detailed information for compound 36858

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 454.145 | Formula: C19H15BrCl2N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C1(OCC(O1)c1ccc(cc1Cl)Cl)Cn1ccnc1
  • InChi: 1S/C19H15BrCl2N2O2/c20-14-3-1-13(2-4-14)19(11-24-8-7-23-12-24)25-10-18(26-19)16-6-5-15(21)9-17(16)22/h1-9,12,18H,10-11H2
  • InChiKey: TVWSBRQBUUFOSI-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
Giardia lamblia Kinase, CMGC MAPK 0.0123 0.1362 0.3574
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0115 0.0094
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0158 0.0347
Trypanosoma cruzi Aminopeptidase M1, putative 0.0039 0.0158 0.0347
Echinococcus granulosus chromobox protein 1 0.007 0.0599 0.0579
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0687 0.0667
Onchocerca volvulus 0.0031 0.0042 0.0033
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0109 0.0088
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0158 0.0347
Loa Loa (eye worm) hypothetical protein 0.0067 0.0561 0.0541
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0258 0.0237
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0115 0.0184
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0967 0.0947
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0048 0.0027
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0162 0.026
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0123 0.1362 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.164 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0039 0.0158 0.0137
Entamoeba histolytica aminopeptidase, putative 0.0039 0.0158 0.0118
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0048 0.0027
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Brugia malayi jmjC domain containing protein 0.0035 0.0109 0.0161
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0729 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0162 0.0141
Brugia malayi Pre-SET motif family protein 0.0409 0.544 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0599 0.0579
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0158 0.0253
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Toxoplasma gondii aminopeptidase N, putative 0.0039 0.0158 0.1021
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0039 0.0158 1
Brugia malayi hypothetical protein 0.0335 0.4385 0.8053
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0443 0.0422
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0464 0.0443
Loa Loa (eye worm) hypothetical protein 0.0031 0.0048 0.0027
Loa Loa (eye worm) TATA binding protein associated factor 0.0039 0.0158 0.0137
Brugia malayi Pre-SET motif family protein 0.0059 0.0443 0.0778
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0258 0.0237
Echinococcus granulosus mitogen activated protein kinase 0.0123 0.1362 0.1343
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0158 0.0253
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0184 0.0163
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0158 0.0347
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0258 0.0436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0158 0.0283
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0158 0.0347
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0115 0.0698
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0158 0.0347
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1003 0.0984
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.3771 1
Brugia malayi jmjC domain containing protein 0.0095 0.0967 0.1744
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0205 0.0295
Brugia malayi MAP kinase sur-1 0.0123 0.1362 0.2473
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0967 0.0947
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0599 0.0579
Onchocerca volvulus 0.0039 0.0158 0.022
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.164 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0729 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0115 0.0094
Echinococcus granulosus mitogen activated protein kinase 3 0.0123 0.1362 0.1343
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3771 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0158 0.0347
Schistosoma mansoni hypothetical protein 0.0067 0.0561 0.0541
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0158 0.0347
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0561 0.0996
Brugia malayi hypothetical protein 0.0039 0.0158 0.0252
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0039 0.0158 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0048 0.0027
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0123 0.1362 1
Echinococcus granulosus chromobox protein 1 0.007 0.0599 0.0579
Trichomonas vaginalis chromobox protein, putative 0.007 0.0599 0.0959
Brugia malayi hypothetical protein 0.0039 0.0158 0.0252
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Loa Loa (eye worm) inositol-1 0.0036 0.0115 0.0094
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0115 0.0184
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3771 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0048 0.0049
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0048 0.0049
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0123 0.1362 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0039 0.0158 0.0253
Onchocerca volvulus 0.0039 0.0158 0.022
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0109 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0258 0.0237
Loa Loa (eye worm) hypothetical protein 0.0039 0.0158 0.0137
Onchocerca volvulus 0.0465 0.6246 1
Trichomonas vaginalis CMGC family protein kinase 0.0123 0.1362 0.218
Plasmodium vivax SET domain protein, putative 0.0059 0.0443 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0123 0.1362 0.1343
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0109 0.0088
Echinococcus multilocularis chromobox protein 1 0.007 0.0599 0.0579
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0048 0.0027
Mycobacterium ulcerans aminopeptidase N PepN 0.0039 0.0158 0.0283
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0115 0.5
Treponema pallidum fructose-bisphosphate aldolase 0.0292 0.3771 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0123 0.1362 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0115 0.0094
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1003 0.1812
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0039 0.0158 0.0137
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0258 0.0237
Trypanosoma cruzi aminopeptidase, putative 0.0039 0.0158 0.0347
Trichomonas vaginalis set domain proteins, putative 0.0465 0.6246 1
Trichomonas vaginalis chromobox protein, putative 0.007 0.0599 0.0959
Schistosoma mansoni serine/threonine protein kinase 0.0123 0.1362 0.1343
Echinococcus granulosus aminopeptidase N 0.0039 0.0158 0.0137
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0158 0.0252
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0123 0.1362 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0158 0.3247
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0443 0.0422
Schistosoma mansoni inositol monophosphatase 0.0036 0.0115 0.0094
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0158 0.0347
Trichomonas vaginalis CMGC family protein kinase 0.0123 0.1362 0.218
Trichomonas vaginalis CMGC family protein kinase 0.0123 0.1362 0.218
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0115 0.0184
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0443 0.0422
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0039 0.0158 0.0347
Loa Loa (eye worm) peptidase family M1 containing protein 0.0039 0.0158 0.0137
Schistosoma mansoni chromobox protein 0.007 0.0599 0.0579
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0412 0.0391
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0443 0.0422
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Schistosoma mansoni chromobox protein 0.007 0.0599 0.0579
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0039 0.0158 0.0347
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0443 0.0422
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0258 0.0237
Onchocerca volvulus 0.007 0.0605 0.0938
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Echinococcus multilocularis aminopeptidase N 0.0039 0.0158 0.0137
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0184 0.0163
Onchocerca volvulus 0.0039 0.0158 0.022
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.007 0.0605 0.0585
Echinococcus multilocularis mitogen activated protein kinase 3 0.0123 0.1362 0.1343
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0205 0.0328
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0039 0.0158 0.0347
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.164 1
Trichomonas vaginalis CMGC family protein kinase 0.0123 0.1362 0.218
Brugia malayi TATA binding protein associated factor 0.0039 0.0158 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0162 0.026
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0039 0.0158 0.0137
Brugia malayi Heterochromatin protein 1 0.007 0.0599 0.1066
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0109 0.0088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.1003 0.1812
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0443 0.0422
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0039 0.0158 0.0137
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0048 0.0027
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Trypanosoma brucei Aminopeptidase M1, putative 0.0039 0.0158 0.0347
Echinococcus multilocularis GPCR, family 2 0.0031 0.0048 0.0027
Toxoplasma gondii aminopeptidase N protein 0.0039 0.0158 0.1021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037
Echinococcus granulosus GPCR family 2 0.0031 0.0048 0.0027
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0205 0.0328
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0409 0.544 0.543
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0123 0.1362 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0443 0.3144
Schistosoma mansoni hypothetical protein 0.0031 0.0048 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0258 0.0237
Trypanosoma brucei protein kinase, putative 0.0123 0.1362 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0039 0.0158 0.0137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0162 0.0227
Loa Loa (eye worm) hypothetical protein 0.005 0.0318 0.0297
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0039 0.0158 0.3247
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0109 0.0088
Schistosoma mansoni hypothetical protein 0.0031 0.0048 0.0027
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Schistosoma mansoni hypothetical protein 0.0031 0.0048 0.0027
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0021
Brugia malayi chromobox protein homolog 3 0.0039 0.0162 0.026
Loa Loa (eye worm) hypothetical protein 0.0039 0.0158 0.0137
Brugia malayi Inositol-1 0.0036 0.0115 0.0173
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0158 0.0252
Loa Loa (eye worm) hypothetical protein 0.0098 0.1003 0.0984
Schistosoma mansoni hypothetical protein 0.0031 0.0048 0.0027
Trypanosoma brucei aminopeptidase, putative 0.0039 0.0158 0.0347
Loa Loa (eye worm) hypothetical protein 0.0039 0.0158 0.0137
Brugia malayi Peptidase family M1 containing protein 0.0039 0.0158 0.0252
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0258 0.0237
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0039 0.0158 0.0137
Toxoplasma gondii aminopeptidase n, putative 0.0039 0.0158 0.1021
Loa Loa (eye worm) aminopeptidase N 0.0039 0.0158 0.0137
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0039 0.0158 0.0347
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0123 0.1362 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0258 0.0237
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0123 0.1362 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0443 0.0422
Echinococcus multilocularis mitogen activated protein kinase 0.0123 0.1362 0.1343
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0729 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3771 0.6037

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) < 1 ug ml-1 Antifungal activity against Trychophyton rubrum ChEMBL. 7310813
Inhibition (functional) = 1 ug ml-1 Antibacterial activity against Erysipelothrix insidiosa ChEMBL. 7310813
Inhibition (functional) = 1 ug ml-1 Antibacterial activity against Streptococcus pyogenes ChEMBL. 7310813
Inhibition (functional) = 10 ug ml-1 Antifungal activity against Microsporum canis ChEMBL. 7310813
Inhibition (functional) = 10 ug ml-1 Antifungal activity against Trychophyton mentagrophytes ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Phialophora verrucosa ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Candida tropicalis ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antifungal activity against Mucor species ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Aspergillus fumigatus ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antifungal activity against Sporothrix schenck ii ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Saprolegnia species ChEMBL. 7310813
Inhibition (functional) = 100 ug ml-1 Antibacterial against Staphylococcus hemolyticus ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Cryptococcus neoformans ChEMBL. 7310813
Inhibition (functional) > 100 ug ml-1 Antifungal activity against Candida albicans ChEMBL. 7310813
Ratio (functional) = 0 Ratio of animals cured to that of animals infected, tested in vivo for antifungal activity against cutaneous candidosis in guinea pig; 0/2 ChEMBL. 7310813

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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