TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.376 | Formula: C23H28BrNO5
H donors: 0 H acceptors: 1 LogP: 5.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@H](c1ccc(cc1)Br)O[C@H]1O[C@@H]2O[C@]3(C)CCC4[C@]2(C([C@H]1C)CC[C@H]4C)OO3
InChi: 1S/C23H28BrNO5/c1-13-4-9-18-14(2)20(26-19(12-25)15-5-7-16(24)8-6-15)27-21-23(18)17(13)10-11-22(3,28-21)29-30-23/h5-8,13-14,17-21H,4,9-11H2,1-3H3/t13-,14-,17?,18?,19-,20+,21-,22+,23-/m1/s1
InChiKey: XHCQQXDIZNDAGY-WRYRKTAWSA-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
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.027	0.1626	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0186	0.0926
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0782	0.487	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0032	0.0032
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0782	0.487	0.487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0089	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0369	0.2254	0.4627
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.0777	0.1594
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Echinococcus granulosus	cathepsin l1	0.0013	0.0002	0.0002
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	hypothetical protein	0.002	0.0046	0.0094
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0089	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0043	0.0084
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0043	0.0043
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0009	0.0018
Brugia malayi	Nuclear hormone receptor E75	0.0369	0.2254	0.4627
Schistosoma mansoni	hypothetical protein	0.0039	0.0164	0.0164
Echinococcus multilocularis	cysteine protease	0.002	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0277	0.0568
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0032	0.0065
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0043	0.0084
Echinococcus multilocularis	cysteine protease	0.002	0.0043	0.0043
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Loa Loa (eye worm)	DR-78	0.0369	0.2254	0.4629
Brugia malayi	Steroid receptor seven-up type 2	0.0782	0.487	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0088	0.0088
Onchocerca volvulus		0.002	0.0043	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Onchocerca volvulus		0.0369	0.2254	0.4627
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0413	0.2535	0.2535
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0413	0.2535	0.2535
Onchocerca volvulus		0.0782	0.487	1
Brugia malayi	hypothetical protein	0.0413	0.2535	0.5202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Brugia malayi	nuclear receptor NHR-88	0.0369	0.2254	0.4627
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0089	0.3078
Loa Loa (eye worm)	hypothetical protein	0.002	0.0043	0.0088
Echinococcus multilocularis	lamin dm0	0.0027	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0782	0.487	1
Leishmania major	cathepsin L-like protease	0.0075	0.0392	1
Onchocerca volvulus		0.002	0.0043	0.0084
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0089	0.3078
Schistosoma mansoni	nuclear receptor	0.0369	0.2254	0.2254
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Echinococcus multilocularis	musashi	0.0027	0.0088	0.0088
Brugia malayi	beta-lactamase family protein	0.0042	0.0186	0.0378
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0089	0.132
Brugia malayi	tailless protein	0.0369	0.2254	0.4627
Trichomonas vaginalis	esterase, putative	0.0042	0.0186	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0782	0.487	0.487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0413	0.2535	0.2535
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0782	0.487	0.487
Loa Loa (eye worm)	hypothetical protein	0.0413	0.2535	0.5204
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0782	0.487	0.487
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0782	0.487	0.487
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0369	0.2254	0.2254
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Brugia malayi	Nuclear hormone receptor E75	0.0369	0.2254	0.4627
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0291	0.7098
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0369	0.2254	0.2254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0369	0.2254	0.4629
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.0777	0.1594
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0782	0.487	1
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0043	0.0084
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0032	0.0062
Schistosoma mansoni	thyroid hormone receptor	0.0782	0.487	0.487
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0002	0.0002
Schistosoma mansoni	nuclear receptor nhr-48	0.0369	0.2254	0.2254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0782	0.487	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0392	1
Schistosoma mansoni	lamin	0.0027	0.0088	0.0088
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0782	0.487	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0089	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0186	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0369	0.2254	0.2254
Entamoeba histolytica	cysteine protease, putative	0.002	0.0043	0.4712
Leishmania major	hypothetical protein, conserved	0.0029	0.01	0.1628
Echinococcus multilocularis	FTZ F1 alpha	0.0782	0.487	0.487
Loa Loa (eye worm)	hypothetical protein	0.0413	0.2535	0.5204
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0164	0.0336
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0186	0.0926
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0043	0.0043
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0089	0.3078
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.01	0.3978
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0782	0.487	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0186	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0032	0.0062
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0782	0.487	0.487
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0043	0.0088
Loa Loa (eye worm)	hypothetical protein	0.002	0.0046	0.0094
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0089	0.3078
Brugia malayi	ecdysteroid receptor	0.0782	0.487	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0186	0.0926
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0186	0.0186
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0186	0.0926
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0369	0.2254	0.2254
Loa Loa (eye worm)	hypothetical protein	0.002	0.0046	0.0094
Schistosoma mansoni	nuclear hormone receptor	0.0369	0.2254	0.2254
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.01	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.01	0.1628
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0782	0.487	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0369	0.2254	0.2254
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0186	0.4093
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0369	0.2254	0.2254
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0089	0.0179
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0782	0.487	0.487
Echinococcus multilocularis	lamin	0.0027	0.0088	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0002	0.0004
Brugia malayi	conserved hypotetical protein	0.0369	0.2254	0.4627
Onchocerca volvulus		0.0027	0.0089	0.0179
Onchocerca volvulus		0.0369	0.2254	0.4627
Onchocerca volvulus	Bile acid receptor homolog	0.0782	0.487	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0089	1
Schistosoma mansoni	microtubule-associated protein tau	0.1593	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0186	0.0926
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0186	0.2945
Onchocerca volvulus		0.002	0.0043	0.0084
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0782	0.487	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	nuclear hormone receptor	0.0369	0.2254	0.4629
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.01	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0089	0.0183
Onchocerca volvulus	Protein ultraspiracle homolog	0.0782	0.487	1
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0369	0.2254	0.2254
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0369	0.2254	0.2254
Brugia malayi	intermediate filament protein	0.0027	0.0088	0.0176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0782	0.487	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0782	0.487	0.487
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Leishmania major	cathepsin L-like protease	0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0046	0.0094
Schistosoma mansoni	nuclear hormone receptor	0.0369	0.2254	0.2254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0369	0.2254	0.4627
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0186	0.0926
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0782	0.487	1
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0369	0.2254	0.4629
Loa Loa (eye worm)	hypothetical protein	0.0413	0.2535	0.5204
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0032	0.0032
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0089	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0782	0.487	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0369	0.2254	0.2254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0782	0.487	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0089	0.3078
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0046	0.0094
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0002	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0369	0.2254	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0002	0.0004
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0413	0.2535	0.5204
Brugia malayi	hypothetical protein	0.0369	0.2254	0.4627
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0413	0.2535	0.5204
Brugia malayi	nuclear receptor RXR	0.0369	0.2254	0.4627
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0186	0.0926
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0186	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0782	0.487	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0046	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0782	0.487	0.487
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0089	0.132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0186	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0782	0.487	0.487
Echinococcus granulosus	lamin	0.0027	0.0088	0.0088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0369	0.2254	0.2254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0043	0.0043
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0782	0.487	0.487
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0084	0.0173
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0032	0.0032
Brugia malayi	hypothetical protein	0.0029	0.01	0.0201
Brugia malayi	Nuclear hormone receptor-like 1	0.0413	0.2535	0.5202
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0782	0.487	0.487
Echinococcus multilocularis	ecdysone induced protein 78C	0.0782	0.487	0.487
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0782	0.487	0.487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0043	0.0043
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Leishmania major	cathepsin L-like protease	0.0075	0.0392	1
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0043	0.0043
Brugia malayi	beta-lactamase family protein	0.0042	0.0186	0.0378
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Schistosoma mansoni	coup transcription factor	0.0782	0.487	0.487
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0782	0.487	1
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0186	0.0926
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Onchocerca volvulus		0.002	0.0043	0.0084
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0782	0.487	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Brugia malayi	hypothetical protein	0.0369	0.2254	0.4627
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0782	0.487	0.487
Loa Loa (eye worm)	cysteine protease	0.002	0.0043	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0043	0.0043
Onchocerca volvulus		0.0042	0.0186	0.0378
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0043	0.0088
Mycobacterium ulcerans	lipase LipD	0.0042	0.0186	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0782	0.487	0.487
Brugia malayi	orphan nuclear receptor NR2E1	0.0369	0.2254	0.4627
Echinococcus multilocularis	microtubule associated protein 2	0.1593	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0782	0.487	0.487
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0277	0.0565
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0186	1
Brugia malayi	nuclear receptor NHR-67	0.0369	0.2254	0.4627
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0089	0.0315
Brugia malayi	Nuclear hormone receptor-like 1	0.0413	0.2535	0.5202
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0369	0.2254	0.2254
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0369	0.2254	0.4627
Brugia malayi	MH2 domain containing protein	0.0136	0.0777	0.1591
Onchocerca volvulus		0.0042	0.0186	0.0378
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0032	0.0032
Schistosoma mansoni	zinc finger protein	0.0369	0.2254	0.2254
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0088	0.0179
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0043	0.0084
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0032	0.0065
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0009	0.0015
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0089	0.3078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0046	0.0212
Echinococcus granulosus	FTZ F1 alpha	0.0782	0.487	0.487
Schistosoma mansoni	lamin	0.0027	0.0088	0.0088
Leishmania major	hypothetical protein, conserved	0.0042	0.0186	0.4093
Echinococcus granulosus	cathepsin l1	0.002	0.0043	0.0043
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.0392	1
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0043	0.4712
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0089	0.3078
Schistosoma mansoni	hypothetical protein	0.0018	0.0032	0.0032
Echinococcus multilocularis	nuclear receptor nhr 48	0.0369	0.2254	0.2254
Onchocerca volvulus		0.0042	0.0186	0.0378
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0186	1
Schistosoma mansoni	thyroid hormone receptor	0.0782	0.487	0.487
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0088	0.0179
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0782	0.487	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0782	0.487	0.487
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0089	0.132
Schistosoma mansoni	nuclear receptor	0.0369	0.2254	0.2254
Brugia malayi	hypothetical protein	0.0018	0.0036	0.0069
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Onchocerca volvulus		0.002	0.0043	0.0084
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0186	0.0378
Brugia malayi	nuclear hormone receptor	0.0782	0.487	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0782	0.487	0.487
Loa Loa (eye worm)	ctsf protein	0.002	0.0043	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	steroid hormone receptor	0.0782	0.487	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0186	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0782	0.487	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Brugia malayi	beta-lactamase	0.0042	0.0186	0.0378
Brugia malayi	hypothetical protein	0.0413	0.2535	0.5202
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0046	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0043	0.2232
Brugia malayi	Cathepsin L-like precursor	0.002	0.0043	0.0084
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0186	0.0186
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0089	0.0179
Brugia malayi	nuclear hormone receptor family member odr-7	0.0369	0.2254	0.4627
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0046	0.0533
Loa Loa (eye worm)	fibroinase	0.002	0.0043	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0088	0.0179
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0043	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0782	0.487	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0164	0.0332
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0277	0.0568
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0043	0.4712
Loa Loa (eye worm)	hypothetical protein	0.0029	0.01	0.0205
Echinococcus granulosus	nuclear receptor nhr 48	0.0369	0.2254	0.2254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0392	1
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0782	0.487	1
Brugia malayi	nuclear hormone receptor	0.0369	0.2254	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0782	0.487	1
Onchocerca volvulus		0.0027	0.0088	0.0176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0043	0.2232
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0277	0.0565
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0186	1
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0088	0.0088
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.01	0.3978
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0782	0.487	0.487
Loa Loa (eye worm)	hypothetical protein	0.0413	0.2535	0.5204
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Brugia malayi	ecdysone receptor	0.0369	0.2254	0.4627
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0369	0.2254	0.2254
Brugia malayi	steroid hormone receptor	0.0782	0.487	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0392	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0186	0.0381
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0088	0.0176
Brugia malayi	Nuclear hormone receptor-like 1	0.0782	0.487	1
Onchocerca volvulus		0.002	0.0043	0.0084
Onchocerca volvulus		0.0027	0.0088	0.0176
Echinococcus granulosus	lamin dm0	0.0027	0.0088	0.0088
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0413	0.2535	0.2535
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0782	0.487	0.487
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.01	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0782	0.487	0.487
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0392	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0186	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2254	0.4629
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0089	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0186	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0186	0.4093
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0782	0.487	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0186	1
Echinococcus granulosus	GPCR family 2	0.0018	0.0032	0.0032
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0782	0.487	0.487
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0186	0.0381
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0089	0.3078
Onchocerca volvulus		0.002	0.0043	0.0084
Brugia malayi	nuclear receptor RXR	0.0413	0.2535	0.5202
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0043	0.0043
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0782	0.487	0.487
Toxoplasma gondii	ABC1 family protein	0.0042	0.0186	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0351	0.8824
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0043	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0782	0.487	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0186	0.0926
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0782	0.487	0.487
Brugia malayi	nuclear receptor NHR-88	0.0782	0.487	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0186	0.0926
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0782	0.487	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0089	0.0315
Schistosoma mansoni	nuclear hormone receptor	0.0782	0.487	0.487

Activities

Activity type	Activity value	Assay description	Source	Reference
Apoptosis (functional)	= 51 %	Percent of cells in sub-G1 phase (apoptotic cells) of cell cycle was determined after 21 hrs of incubation of P388 cells	ChEMBL.	11140731
Concentration (functional)	= 25 nM	Ability to induce apoptosis after 21 hrs of incubation of P388 cells	ChEMBL.	11140731
G1 (functional)	= 63 %	Percent of cells in G1 phase of cell cycle, was determined after 21 hrs of incubation of P388 cells	ChEMBL.	11140731
IC50 (functional)	= 11 nM	In vitro inhibitory concentration required against murine P388 leukemic cells proliferation	ChEMBL.	11140731
IC50 (functional)	= 39 nM	In vitro inhibitory concentration required against human lung A549 carcinoma cells proliferation	ChEMBL.	11140731
IC50 (functional)	= 5120000 nM	In vitro inhibitory concentration required against NIH3T3 cells proliferation	ChEMBL.	11140731

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11140731
Mus musculus	ChEMBL23	11140731

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.

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External resources for this compound

ChEMBL: CHEMBL2110194

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1694603