TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 517.363 | Formula: C27H18Cl2N4O3
H donors: 0 H acceptors: 5 LogP: 5.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc(c(c1)Cl)N(C1=CC(=O)c2c(C1=O)cccc2)Cc1nnn(c1)CC(=O)c1ccccc1
InChi: 1S/C27H18Cl2N4O3/c28-18-10-11-23(22(29)12-18)33(24-13-25(34)20-8-4-5-9-21(20)27(24)36)15-19-14-32(31-30-19)16-26(35)17-6-2-1-3-7-17/h1-14H,15-16H2
InChiKey: VUFPUGNHUAMAEU-UHFFFAOYSA-N

Network

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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

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0011	0.0086
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0248	0.0446	0.3481
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0034	0.0034
Leishmania major	cathepsin L-like protease	0.0062	0.0096	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.0034	0.0262
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0011	0.0086
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.001
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.0211	0.1644
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Onchocerca volvulus		0.0016	0.0011	0.1388
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Echinococcus granulosus	cathepsin l1	0.0016	0.0011	0.0011
Echinococcus multilocularis	lamin dm0	0.0053	0.008	0.008
Schistosoma mansoni	lamin	0.0053	0.008	0.0091
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0011	0.0011
Onchocerca volvulus		0.0016	0.0011	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0008
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0034	0.0039
Leishmania major	cathepsin L-like protease	0.0016	0.0011	0.0167
Echinococcus multilocularis	lamin	0.0053	0.008	0.008
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0054	0.0054
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0011	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0079	0.0128	0.0998
Onchocerca volvulus	Alhambra homolog	0.0028	0.0034	0.422
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.008	0.062
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0011	0.0011
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0045	0.0045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Echinococcus granulosus	lamin	0.0053	0.008	0.008
Schistosoma mansoni	hypothetical protein	0.0079	0.0128	0.0147
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0011	0.0011
Schistosoma mansoni	lamin	0.0053	0.008	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0008
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0011	0.0011
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0079	0.0128	0.0128
Echinococcus granulosus	peregrin	0.0028	0.0034	0.0034
Loa Loa (eye worm)	fibroinase	0.0016	0.0011	0.0086
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.001	0.0075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Onchocerca volvulus		0.0053	0.008	1
Leishmania major	cathepsin L-like protease	0.0062	0.0096	1
Brugia malayi	isocitrate dehydrogenase	0.0015	0.001	0.0075
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.001	0.001
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0034	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0248	0.0446	0.3481
Giardia lamblia	Kinesin-5	0.0694	0.1282	1
Onchocerca volvulus		0.0011	0.0001	0.0125
Brugia malayi	Bromodomain containing protein	0.0028	0.0034	0.0262
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0011	0.0011
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0096	1
Plasmodium vivax	vivapain-2	0.0016	0.0011	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Entamoeba histolytica	cysteine protease, putative	0.0016	0.0011	0.0078
Onchocerca volvulus		0.0016	0.0011	0.1388
Echinococcus granulosus	tumor protein p63	0.0327	0.0594	0.0594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0079	0.0128	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0034	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0078	0.0606
Onchocerca volvulus		0.0016	0.0011	0.1388
Leishmania major	cathepsin L-like protease	0.0016	0.0011	0.0167
Brugia malayi	cytoplasmic intermediate filament protein	0.0028	0.0034	0.0262
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0079	0.0128	0.0128
Onchocerca volvulus		0.0016	0.0011	0.1388
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0072	0.7146
Echinococcus granulosus	cathepsin l1	0.0011	0.0001	0.0001
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0096	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Schistosoma mansoni	intermediate filament proteins	0.0053	0.008	0.0091
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.0211	0.1644
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0034	0.0262
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0034	0.0188
Leishmania major	cathepsin L-like protease	0.0016	0.0011	0.0167
Toxoplasma gondii	kinesin motor domain-containing protein	0.0694	0.1282	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0027	0.0207
Echinococcus granulosus	intermediate filament protein	0.0053	0.008	0.008
Echinococcus multilocularis	cysteine protease	0.0016	0.0011	0.0011
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.001
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0011	0.0078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Echinococcus multilocularis	cysteine protease	0.0016	0.0011	0.0011
Brugia malayi	PHD-finger family protein	0.0028	0.0034	0.0262
Toxoplasma gondii	cathepsin CPL	0.0016	0.0011	0.0011
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Loa Loa (eye worm)	cysteine protease	0.0016	0.0011	0.0086
Echinococcus multilocularis	musashi	0.0053	0.008	0.008
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0011	0.0078
Echinococcus multilocularis	tumor protein p63	0.0327	0.0594	0.0594
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0045	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0071	0.0557
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.0154	0.0154
Schistosoma mansoni	hypothetical protein	0.0028	0.0034	0.0039
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0001	0.0008
Loa Loa (eye worm)	STAT protein	0.0161	0.0283	0.2206
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0248	0.0446	0.3481
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0045	0.0051
Echinococcus multilocularis	peregrin	0.0028	0.0034	0.0034
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0011	0.0011
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0025	0.0028	0.0028
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0011	0.0011
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0034	0.0188
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0694	0.1282	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0248	0.0446	0.3481
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Schistosoma mansoni	hypothetical protein	0.4646	0.8698	1
Plasmodium falciparum	kinesin-5	0.0694	0.1282	1
Schistosoma mansoni	kinesin eg-5	0.0694	0.1282	0.1474
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0001	0.0008
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.001	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0025	0.0028	0.0028
Onchocerca volvulus		0.0016	0.0011	0.1388
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Onchocerca volvulus		0.0048	0.007	0.8852
Brugia malayi	jmjC domain containing protein	0.0092	0.0154	0.1201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Echinococcus multilocularis	geminin	0.0165	0.0291	0.0291
Brugia malayi	Latrophilin receptor protein 2	0.0079	0.0128	0.0998
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.007	0.0081
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0828	0.1533	0.1533
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0079	0.0128	0.0128
Plasmodium vivax	kinesin-5	0.0694	0.1282	1
Echinococcus granulosus	GPCR family 2	0.0079	0.0128	0.0128
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0079	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0048	0.007	0.0549
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0034	0.0034
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.001
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0011	0.1388
Brugia malayi	MH2 domain containing protein	0.0123	0.0211	0.1644
Brugia malayi	Kinesin motor domain containing protein	0.0694	0.1282	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0011	1
Brugia malayi	latrophilin 2 splice variant baaae	0.017	0.0299	0.2332
Schistosoma mansoni	hypothetical protein	0.017	0.0299	0.0344
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0054	0.0054
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0011	0.0167
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0011	0.1388
Onchocerca volvulus		0.0053	0.008	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0096	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0001	0.0001
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.001	0.0011
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0011	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0028	0.0221
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0096	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0001	0.0008
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0161	0.0283	0.2206
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0045	0.0051
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.001	0.0075
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0011	0.0086
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.009	0.0701
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0001	0.0008
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Onchocerca volvulus		0.0016	0.0011	0.1388
Entamoeba histolytica	kinesin, putative	0.0694	0.1282	1
Loa Loa (eye worm)	ctsf protein	0.0016	0.0011	0.0086
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.0011	0.0167
Plasmodium vivax	vivapain-2	0.0016	0.0011	0.0011
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0096	1
Echinococcus multilocularis	kinesin family 1	0.534	1	1
Leishmania major	cathepsin L-like protease	0.0016	0.0011	0.0167
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.0086	0.8843
Schistosoma mansoni	hypothetical protein	0.0079	0.0128	0.0147
Brugia malayi	cathepsin L-like precursor	0.0011	0.0001	0.0008
Schistosoma mansoni	hypothetical protein	0.0165	0.0291	0.0335
Schistosoma mansoni	hypothetical protein	0.0079	0.0128	0.0147
Echinococcus granulosus	geminin	0.0165	0.0291	0.0291
Leishmania major	cathepsin L-like protease	0.0016	0.0011	0.0167
Leishmania major	cathepsin L-like protease	0.0062	0.0096	1
Schistosoma mansoni	hypothetical protein	0.0165	0.0291	0.0335
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.0118	0.0136
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.008	0.062
Loa Loa (eye worm)	hypothetical protein	0.017	0.0299	0.2332
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0011	0.0086
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0079	0.0128	0.0998
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0011	1
Echinococcus multilocularis	GPCR, family 2	0.0079	0.0128	0.0128
Brugia malayi	jmjC domain containing protein	0.0034	0.0045	0.0349
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0011	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0011	1
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.008	0.062
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0031	0.0242
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0011	0.0011
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0031	0.0242
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0053	0.008	0.062
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0034	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0027	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0128	0.0998
Echinococcus granulosus	lamin dm0	0.0053	0.008	0.008
Brugia malayi	intermediate filament protein	0.0053	0.008	0.062
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0011	0.0013
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0011	0.1388
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0011	0.0086
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.001	0.001

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

ChEMBL: CHEMBL3331417

Bibliographic References

No literature references available for this target.

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Detailed information for compound 929319