TDR Targets

Basic information

Technical information

TDR Targets ID: 1458408
Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-met hoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-a mine hydrochloride
MW: 520.287 | Formula: C22H29BrCl2N2O3
H donors: 1 H acceptors: 0 LogP: 4.87 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(CNCCCN2CCOCC2)cc(c1OCc1ccc(cc1)Cl)Br.Cl
InChi: 1S/C22H28BrClN2O3.ClH/c1-27-21-14-18(15-25-7-2-8-26-9-11-28-12-10-26)13-20(23)22(21)29-16-17-3-5-19(24)6-4-17;/h3-6,13-14,25H,2,7-12,15-16H2,1H3;1H
InChiKey: AHFFYXGZFWJICT-UHFFFAOYSA-N

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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

N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-morpholino-propan-1-amine hydrochloride
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-morpholinopropan-1-amine hydrochloride
[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-(3-morpholinopropyl)amine hydrochloride
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-morpholin-4-yl-propan-1-amine hydrochloride
SMR000294818
MLS000664871
N-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzyl}-3-(4-morpholinyl)-1-propanamine dihydrochloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	transient receptor potential cation channel, subfamily C, member 4	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	TRP (transient receptor potential) channel	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	Transient receptor potential-gamma protein, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	TRP transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	Transient-receptor-potential like protein	Get druggable targets OG5_128782	All targets in OG5_128782
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K05328 transient receptor potential cation channel, subfamily C,, putative	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	transient receptor potential ion channel A	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	transient receptor potential channel 4	Get druggable targets OG5_128782	All targets in OG5_128782
Schistosoma mansoni	transient receptor potential channel	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus multilocularis	transient receptor potential gamma protein	Get druggable targets OG5_128782	All targets in OG5_128782
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	Short transient receptor potential channel 5, putative	Get druggable targets OG5_128782	All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	short transient receptor potential channel 6	transient receptor potential cation channel, subfamily C, member 4	890 aa	799 aa	31.2 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0051	0.0836	0.1039
Plasmodium vivax	ATP-dependent protease subunit ClpQ, putative	0.0051	0.0836	0.0653
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0064	0.1105	0.0375
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0064	0.1105	0.1004
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0051	0.0836	0.0833
Brugia malayi	prolyl oligopeptidase family protein	0.0027	0.0334	0.0416
Toxoplasma gondii	proteasome subunit beta type 7 precursor, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	proteasome prosome macropain	0.0398	0.8021	0.802
Loa Loa (eye worm)	prolyl oligopeptidase	0.0027	0.0334	0.0413
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0051	0.0836	0.0833
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0498	0.0618
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.1385	0.1382
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0398	0.8021	1
Plasmodium falciparum	ATP-dependent protease subunit ClpQ	0.0051	0.0836	0.0653
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0051	0.0836	0.0833
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0051	0.0836	0.0653
Toxoplasma gondii	prolyl endopeptidase	0.0141	0.2692	0.3069
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0051	0.0836	0.0653
Plasmodium falciparum	proteasome subunit alpha type-2, putative	0.0051	0.0836	0.0653
Brugia malayi	hypothetical protein	0.0286	0.5689	0.7093
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1304	0.1623
Plasmodium vivax	proteasome subunit beta type-1, putative	0.0252	0.4994	0.6062
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0398	0.8021	1
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0064	0.1105	0.0375
Entamoeba histolytica	proteasome subunit beta type 6 precursor, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	transient receptor potential ion channel A	0.0113	0.2125	0.2123
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0175	0.0172
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0398	0.8021	1
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0051	0.0836	0.0833
Entamoeba histolytica	proteasome subunit beta Type 4 precursor, putative	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Giardia lamblia	20S proteasome alpha subunit 3	0.0051	0.0836	0.0653
Giardia lamblia	Proteasome subunit beta type 7 precursor	0.0051	0.0836	0.0653
Toxoplasma gondii	proteasome subunit alpha type 5-2, putative	0.0051	0.0836	0.0653
Giardia lamblia	Proteasome subunit beta type 3	0.0051	0.0836	0.0653
Plasmodium vivax	proteasome subunit beta type-7, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0051	0.0836	0.1039
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0051	0.0836	0.0673
Schistosoma mansoni	transient receptor potential channel 4	0.0117	0.2206	0.2067
Echinococcus granulosus	Dipeptidyl peptidase 9	0.007	0.123	0.1227
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.007	0.123	0.1166
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0044	0.0683	0.068
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0252	0.4994	0.4992
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0051	0.0836	0.0833
Entamoeba histolytica	proteasome subunit alpha type 1, putative	0.0051	0.0836	0.0653
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.0252	0.4994	0.6062
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0252	0.4994	0.4992
Echinococcus granulosus	Proteasome subunit alpha beta	0.0051	0.0836	0.0833
Trypanosoma cruzi	proteasome subunit alpha type-1, putative	0.0051	0.0836	0.0653
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0051	0.0836	0.0833
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	prolyl oligopeptidase family protein	0.007	0.123	0.1533
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0051	0.0836	0.0673
Echinococcus multilocularis	proteasome subunit beta type 7	0.0051	0.0836	0.0833
Toxoplasma gondii	proteasome subunit alpha type, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	transient receptor potential channel	0.0117	0.2206	0.2067
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.1385	0.1382
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0051	0.0836	0.0833
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0051	0.0836	0.0673
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0677	0.0841
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0051	0.0836	0.0833
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0252	0.4994	0.6062
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0051	0.0836	0.1039
Echinococcus multilocularis	cpg binding protein	0.0037	0.0539	0.0537
Trypanosoma brucei	proteasome beta 2 subunit, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0051	0.0836	0.0673
Giardia lamblia	20S proteasome alpha subunit 2	0.0051	0.0836	0.0653
Giardia lamblia	Proteasome subunit beta type 2	0.0051	0.0836	0.0653
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0252	0.4994	0.6225
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0051	0.0836	0.0673
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0175	0.0172
Trypanosoma brucei	proteasome beta-1 subunit, putative	0.0051	0.0836	0.0653
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	ATP-dependent protease subunit HslV, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0051	0.0836	0.0673
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0398	0.8021	1
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0027	0.0334	0.0162
Trypanosoma brucei	proteasome subunit alpha type-5, putative	0.0051	0.0836	0.0653
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0986	0.1229
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0498	0.0621
Giardia lamblia	20S proteasome alpha subunit 1	0.0051	0.0836	0.0653
Echinococcus multilocularis	proteasome subunit beta type 6	0.0051	0.0836	0.0833
Toxoplasma gondii	proteasome subunit	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0051	0.0836	0.0653
Trypanosoma brucei	ATP-dependent protease subunit HslV	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	proteasome subunit beta type 2	0.0051	0.0836	0.1042
Toxoplasma gondii	peptidase, T1 family protein	0.0051	0.0836	0.0653
Entamoeba histolytica	calcium-dependent protein kinase 2, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	hypothetical protein	0.0058	0.0986	0.0825
Brugia malayi	proteasome subunit beta type 1	0.0252	0.4994	0.6226
Echinococcus granulosus	proteasome subunit beta type 6	0.0051	0.0836	0.0833
Plasmodium vivax	proteasome subunit beta type-4, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0051	0.0836	0.0653
Brugia malayi	Proteasome A-type and B-type family protein	0.0398	0.8021	1
Giardia lamblia	20S proteasome alpha subunit 5	0.0051	0.0836	0.0653
Brugia malayi	proteasome subunit alpha type 1	0.0051	0.0836	0.1042
Mycobacterium tuberculosis	Probable peptidase	0.0064	0.1105	0.0375
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0051	0.0836	0.0673
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Plasmodium falciparum	proteasome subunit alpha type-7, putative	0.0051	0.0836	0.0653
Giardia lamblia	Proteasome subunit beta type 9 precursor	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0398	0.8021	1
Trypanosoma cruzi	oligopeptidase b	0.0064	0.1105	0.1004
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0051	0.0836	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0175	0.0215
Brugia malayi	proteasome subunit alpha type 6	0.0051	0.0836	0.1042
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0182	0.3544	0.343
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0051	0.0836	0.1039
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Toxoplasma gondii	proteasome subunit alpha1, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0051	0.0836	0.0673
Trypanosoma brucei	prolyl endopeptidase	0.0141	0.2692	0.3069
Loa Loa (eye worm)	hypothetical protein	0.0286	0.5689	0.7092
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0398	0.8021	1
Echinococcus multilocularis	prolyl endopeptidase	0.0141	0.2692	0.269
Brugia malayi	Proteasome A-type and B-type family protein	0.0051	0.0836	0.1042
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0051	0.0836	0.1039
Echinococcus multilocularis	short transient receptor potential channel 6	0.0078	0.1385	0.1382
Mycobacterium ulcerans	proteasome PrcB	0.0398	0.8021	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.007	0.123	0.1166
Trypanosoma brucei	proteasome alpha 3 subunit, putative	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	prolyl oligopeptidase family protein	0.0141	0.2692	0.3357
Plasmodium vivax	proteasome subunit beta type-3, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0182	0.3544	0.3543
Entamoeba histolytica	proteasome subunit alpha type 2-A, putative	0.0051	0.0836	0.0653
Brugia malayi	proteasome subunit beta type 3	0.0051	0.0836	0.1042
Loa Loa (eye worm)	PAS-3 protein	0.0051	0.0836	0.1039
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0051	0.0836	0.0673
Giardia lamblia	Proteasome subunit beta type 1	0.0252	0.4994	0.6062
Plasmodium vivax	proteasome subunit alpha type-2, putative	0.0051	0.0836	0.0653
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0175	0.0218
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0051	0.0836	0.0833
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.0252	0.4994	0.6062
Toxoplasma gondii	20S proteasome subunit beta 7, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0141	0.2692	0.3355
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0027	0.0334	0.0331
Brugia malayi	proteasome subunit alpha type 2	0.0051	0.0836	0.1042
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0398	0.8021	1
Trypanosoma brucei	proteasome alpha 7 subunit	0.0051	0.0836	0.0653
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0064	0.1105	0.0375
Schistosoma mansoni	cpg binding protein	0.0037	0.0539	0.0371
Plasmodium vivax	proteasome subunit alpha type-7, putative	0.0051	0.0836	0.0653
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.007	0.123	0.1166
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0064	0.1105	0.1004
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0051	0.0836	0.0673
Echinococcus multilocularis	geminin	0.0205	0.4014	0.4013
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2206	0.2748
Giardia lamblia	20S proteasome alpha subunit 7	0.0051	0.0836	0.0653
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0175	0.0172
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.007	0.123	0.0548
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1026	0.1277
Trypanosoma cruzi	proteasome beta 7 subunit, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0051	0.0836	0.0673
Echinococcus granulosus	geminin	0.0205	0.4014	0.4013
Onchocerca volvulus	Notchless protein homolog	0.0051	0.0836	0.1108
Trypanosoma brucei	proteasome beta 3 subunit, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	oligopeptidase b	0.0064	0.1105	0.1004
Plasmodium vivax	proteasome subunit alpha type-5, putative	0.0051	0.0836	0.0653
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.0252	0.4994	0.6062
Trypanosoma brucei	proteasome beta 7 subunit	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Toxoplasma gondii	proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative	0.0051	0.0836	0.0653
Plasmodium vivax	proteasome subunit alpha type-6, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0334	0.0413
Echinococcus multilocularis	transient receptor potential gamma protein	0.0117	0.2206	0.2204
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0051	0.0836	0.1039
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0051	0.0836	0.1039
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.007	0.123	0.1166
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0252	0.4994	0.6062
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0051	0.0836	0.0673
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0051	0.0836	0.0653
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	proteasome subunit beta t family	0.0051	0.0836	0.0833
Plasmodium falciparum	proteasome subunit beta type-3, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0632	0.0785
Plasmodium falciparum	proteasome subunit alpha type-6, putative	0.0051	0.0836	0.0653
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.007	0.123	0.1166
Brugia malayi	Proteasome subunit alpha type 7-1	0.0051	0.0836	0.1042
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0141	0.2692	0.2584
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.0252	0.4994	0.5787
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0986	0.0825
Trypanosoma cruzi	proteasome beta 2 subunit, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0175	0.0215
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1026	0.128
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0141	0.2692	0.7203
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Plasmodium vivax	proteasome subunit alpha type-4, putative	0.0051	0.0836	0.0653
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	transient receptor potential channel	0.0078	0.1385	0.1231
Schistosoma mansoni	hypothetical protein	0.0205	0.4014	0.3908
Plasmodium vivax	proteasome subunit alpha type-1, putative	0.0051	0.0836	0.0653
Plasmodium falciparum	proteasome subunit beta type-5	0.0398	0.8021	1
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0051	0.0836	0.0673
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0051	0.0836	0.0673
Echinococcus granulosus	prolyl endopeptidase	0.0141	0.2692	0.269
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0051	0.0836	0.1039
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0051	0.0836	0.0833
Toxoplasma gondii	proteasome subunit beta type, putative	0.0398	0.8021	1
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0398	0.8021	0.802
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0398	0.8021	1
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	hypothetical protein	0.0205	0.4014	0.3908
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0051	0.0836	0.1039
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	hypothetical protein	0.0043	0.0677	0.0844
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.0051	0.0836	0.5
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0051	0.0836	0.0833
Echinococcus granulosus	proteasome subunit alpha type 2	0.0051	0.0836	0.0833
Trypanosoma brucei	proteasome alpha 1 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	proteasome subunit alpha type 3	0.0051	0.0836	0.1042
Echinococcus granulosus	transient receptor potential gamma protein	0.0117	0.2206	0.2204
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0027	0.0334	0.0162
Plasmodium falciparum	proteasome subunit beta type-4	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0051	0.0836	0.0653
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0051	0.0836	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0683	0.0848
Schistosoma mansoni	transient receptor potential channel	0.0078	0.1385	0.1231
Echinococcus granulosus	cpg binding protein	0.0037	0.0539	0.0537
Leishmania major	oligopeptidase b	0.0064	0.1105	0.0375
Trypanosoma brucei	oligopeptidase b	0.0064	0.1105	0.1004
Trypanosoma brucei	proteasome alpha 2 subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	proteasome subunit alpha type 4	0.0051	0.0836	0.1042
Entamoeba histolytica	proteasome subunit beta type 3, putative	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.004	0.0602	0.0747
Plasmodium falciparum	proteasome subunit beta type-7, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.0252	0.4994	0.6062
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0182	0.3544	1
Plasmodium falciparum	proteasome subunit alpha type-4, putative	0.0051	0.0836	0.0653
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0051	0.0836	0.0653
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0175	0.0218
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0051	0.0836	0.0833
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0051	0.0836	0.0673
Echinococcus granulosus	acylamino acid releasing enzyme	0.0027	0.0334	0.0331
Plasmodium falciparum	proteasome subunit alpha type-3, putative	0.0051	0.0836	0.0653
Brugia malayi	prolyl oligopeptidase family protein	0.0027	0.0334	0.0416
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0051	0.0836	0.1039
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0252	0.4994	0.4905
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0051	0.0836	0.0653
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0398	0.8021	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0632	0.0465
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.007	0.123	0.1227
Loa Loa (eye worm)	prolyl oligopeptidase	0.0182	0.3544	0.4417
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0114	0.214	0.1815
Giardia lamblia	20S proteasome alpha subunit 6	0.0051	0.0836	0.0653
Trypanosoma cruzi	20S proteasome subunit	0.0051	0.0836	0.0653
Entamoeba histolytica	proteasome subunit beta type 7-B precursor, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0141	0.2692	0.2562
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Trypanosoma brucei	Proteasome subunit A N-terminal signature/Proteasome subunit, putative	0.0051	0.0836	0.0653
Brugia malayi	Proteasome A-type and B-type family protein	0.0051	0.0836	0.1042
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0064	0.1105	0.0375
Trypanosoma brucei	proteasome beta 6 subunit	0.0252	0.4994	0.6062
Echinococcus granulosus	short transient receptor potential channel 6	0.0078	0.1385	0.1382
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0175	0.0172
Echinococcus granulosus	TRP transient receptor potential channel	0.0044	0.0683	0.068
Brugia malayi	Transient-receptor-potential like protein	0.0044	0.0683	0.0851
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.5689	0.5688
Toxoplasma gondii	proteasome subunit alpha type 1, putative	0.0051	0.0836	0.0653
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0051	0.0836	0.0833
Onchocerca volvulus		0.0058	0.0986	0.16
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0398	0.8021	1
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0051	0.0836	0.0653
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0051	0.0836	0.0833
Plasmodium vivax	proteasome subunit alpha type-3, putative	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0051	0.0836	0.0673
Echinococcus granulosus	GPCR family 2	0.0019	0.0175	0.0172
Plasmodium falciparum	proteasome subunit alpha type-1, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0051	0.0836	0.0653
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0632	0.0788
Plasmodium falciparum	proteasome subunit alpha type-5, putative	0.0051	0.0836	0.0653
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.5689	0.5688
Giardia lamblia	Proteasome subunit beta type 4 precursor	0.0051	0.0836	0.0653
Schistosoma mansoni	cpg binding protein	0.0037	0.0539	0.0371
Brugia malayi	20S proteasome alpha5 subunit	0.0051	0.0836	0.1042
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0051	0.0836	0.0653
Brugia malayi	Proteasome subunit alpha type 1	0.0051	0.0836	0.1042
Toxoplasma gondii	heat shock protein hslv, putative	0.0051	0.0836	0.0653
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0064	0.1105	0.1004
Leishmania major	proteasome beta 5 subunit, putative	0.0398	0.8021	1
Giardia lamblia	20S proteasome alpha subunit 4	0.0051	0.0836	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0051	0.0836	0.0653
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0175	0.0172
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0051	0.0836	0.0653
Schistosoma mansoni	cpg binding protein	0.0035	0.0498	0.0329
Echinococcus granulosus	proteasome subunit alpha type 6	0.0051	0.0836	0.0833
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0051	0.0836	0.0673
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0398	0.8021	0.7985
Brugia malayi	prolyl oligopeptidase family protein	0.0182	0.3544	0.4419
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0064	0.1105	0.1004
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1303	0.1148
Plasmodium falciparum	proteasome subunit beta type-6, putative	0.0051	0.0836	0.0653
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0182	0.3544	0.3543
Echinococcus multilocularis	transient receptor potential ion channel A	0.0113	0.2125	0.2123
Trypanosoma brucei	proteasome alpha 7 subunit, putative	0.0051	0.0836	0.0653
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0051	0.0836	0.0653
Trypanosoma cruzi	prolyl endopeptidase	0.0141	0.2692	0.3069
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0141	0.2692	0.2562
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0051	0.0836	0.0653
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0051	0.0836	0.0833
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.007	0.123	0.1074
Toxoplasma gondii	proteasome beta subunit	0.0051	0.0836	0.0653
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0051	0.0836	0.0833
Echinococcus granulosus	proteasome subunit beta type 7	0.0051	0.0836	0.0833
Plasmodium vivax	proteasome subunit beta type-6, putative	0.0051	0.0836	0.0653
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.114	0.1049
Entamoeba histolytica	proteasome subunit alpha type 6, putative	0.0051	0.0836	0.0653
Brugia malayi	Proteasome A-type and B-type family protein	0.0051	0.0836	0.1042
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1026	0.128
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0051	0.0836	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0334	0.0413
Trypanosoma cruzi	hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B	0.0051	0.0836	0.0653
Loa Loa (eye worm)	hypothetical protein	0.006	0.1026	0.1277

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	5.956 uM	PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256]	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	12.9953 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	33.5875 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1609819

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1458408