TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.298 | Formula: C23H17BrN2
H donors: 2 H acceptors: 0 LogP: 6.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cccc(c1)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChi: 1S/C23H17BrN2/c24-16-7-5-6-15(12-16)23(19-13-25-21-10-3-1-8-17(19)21)20-14-26-22-11-4-2-9-18(20)22/h1-14,23,25-26H
InChiKey: HEDLVSGBBBGYOU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	latrophilin 2 splice variant baaae	0.0118	0.2932	0.393
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0147	0.3746	0.3686
Loa Loa (eye worm)	transcription factor SMAD2	0.0274	0.7312	1
Schistosoma mansoni	hypothetical protein	0.0055	0.1152	0.2653
Echinococcus multilocularis	expressed protein	0.0038	0.0676	0.0586
Echinococcus multilocularis	smad	0.0019	0.0142	0.0048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0209	0.1204
Schistosoma mansoni	smad	0.0019	0.0142	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0542	0.5205
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1152	0.1464
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0095	0.0916
Loa Loa (eye worm)	Smad1	0.0019	0.0142	0.0065
Giardia lamblia	GTOR	0.0051	0.1041	0.5
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0142	0.0118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0386	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Schistosoma mansoni	hypothetical protein	0.0055	0.1152	0.2653
Schistosoma mansoni	rotamase	0.0038	0.0676	0.1457
Brugia malayi	MH1 domain containing protein	0.0019	0.0142	0.0065
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Brugia malayi	RNA binding protein	0.0141	0.357	0.4815
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0173	0.4465	0.6056
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0037	0.0651	0.5874
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.4077	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.004	0.0751	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1138	0.1445
Brugia malayi	MH2 domain containing protein	0.0019	0.0142	0.0065
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.1041	1
Loa Loa (eye worm)	RNA binding protein	0.0141	0.357	0.4815
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0385	0.3702
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0055	0.1152	0.1067
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0386	0.3713
Brugia malayi	Latrophilin receptor protein 2	0.0055	0.1152	0.1464
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0037	0.0651	0.5874
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0573	0.5501
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0051	0.1041	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0019	0.0142	0.0048
Schistosoma mansoni	Smad4	0.0019	0.0142	0.0118
Loa Loa (eye worm)	phosphatidylinositol 3	0.0051	0.1041	0.131
Echinococcus granulosus	Smad4	0.0019	0.0142	0.0048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Trichomonas vaginalis	rotamase, putative	0.0038	0.0676	0.6491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0468	0.4499
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0051	0.1041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0147	0.3746	0.3686
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.075	0.7204
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0676	0.6491
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0051	0.1041	0.2375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0385	0.3702
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0019	0.0142	0.0048
Schistosoma mansoni	hypothetical protein	0.0118	0.2932	0.7123
Trypanosoma cruzi	target of rapamycin kinase 3	0.004	0.0751	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0095	0.0916
Echinococcus multilocularis	GPCR, family 2	0.0055	0.1152	0.1067
Echinococcus granulosus	smad	0.0019	0.0142	0.0048
Brugia malayi	Smad1	0.0019	0.0142	0.0065
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0055	0.1152	0.1067
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0051	0.1041	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0173	0.4465	0.6056
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0055	0.1152	0.1067
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0037	0.0651	0.5874
Echinococcus multilocularis	Smad4	0.0019	0.0142	0.0048
Onchocerca volvulus		0.0054	0.1138	0.5
Brugia malayi	MH1 domain containing protein	0.0019	0.0142	0.0065
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0055	0.1152	0.1464
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.357	0.8726
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0051	0.1041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0385	0.3702
Echinococcus granulosus	tar DNA binding protein	0.0141	0.357	0.3508
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.075	0.7204
Echinococcus granulosus	GPCR family 2	0.0055	0.1152	0.1067
Loa Loa (eye worm)	MH2 domain-containing protein	0.0274	0.7312	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0676	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0386	0.3713
Loa Loa (eye worm)	hypothetical protein	0.0118	0.2932	0.393
Brugia malayi	MH2 domain containing protein	0.0019	0.0142	0.0065
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.357	0.8726
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0051	0.1041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0386	0.3713
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.4077	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.1041	1
Schistosoma mansoni	hypothetical protein	0.0055	0.1152	0.2653
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.046	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.075	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0833	0.8002
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0141	0.357	0.4815
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.357	0.8726
Brugia malayi	MH2 domain containing protein	0.0274	0.7312	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0019	0.0142	0.0048
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.4077	0.402
Echinococcus multilocularis	tar DNA binding protein	0.0141	0.357	0.3508
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0051	0.1041	0.0955
Loa Loa (eye worm)	MH2 domain-containing protein	0.0019	0.0142	0.0065
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0051	0.1041	0.0955
Loa Loa (eye worm)	MH1 domain-containing protein	0.0019	0.0142	0.0065
Brugia malayi	RNA recognition motif domain containing protein	0.0141	0.357	0.4815
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.1138	0.2618
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0037	0.0651	0.5874
Schistosoma mansoni	hypothetical protein	0.0055	0.1152	0.2653
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.1041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0468	0.4499
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0019	0.0142	0.0048
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0142	0.0118
Trichomonas vaginalis	rotamase, putative	0.0037	0.0651	0.6252
Loa Loa (eye worm)	TAR-binding protein	0.0141	0.357	0.4815
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.357	0.8726
Echinococcus granulosus	expressed protein	0.0038	0.0676	0.0586
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0095	0.0916
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0024	0.0291	0.207
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0038	0.0676	0.0804
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0038	0.0676	0.0804
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.004	0.0751	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0173	0.4465	0.6056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.075	0.7204
Brugia malayi	TAR-binding protein	0.0141	0.357	0.4815
Echinococcus multilocularis	tumor protein p63	0.037	1	1
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0142	0.0118
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0173	0.4465	0.6056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.046	0.4418
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0051	0.1041	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0055	0.1152	0.1464
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.357	0.8726
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0095	0.0916
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0051	0.1041	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0038	0.0676	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.075	0.7204
Schistosoma mansoni	hypothetical protein	0.0147	0.3746	0.9168
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0019	0.0142	0.0118
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.1041	0.131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0468	0.4499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0095	0.0916
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0051	0.1041	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0055	0.1152	0.1067

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antifungal activity against Candida albicans ATCC 90028 by CLSI method	ChEMBL.	23517732
IC50 (functional)	= 5.33 uM	Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method	ChEMBL.	23517732
IC90 (functional)	= 75.58 uM	Antileishmanial activity against axenic amastigote of Leishmania donovani after 72 hrs by alamar blue assay	ChEMBL.	23517732
MFC (functional)	= 12.5 uM	Antifungal activity against Cryptococcus neoformans ATCC 90113 by CLSI method	ChEMBL.	23517732

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Cryptococcus neoformans	ChEMBL23	23517732

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

ChEMBL: CHEMBL2376557

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1760128