TDR Targets

Basic information

Technical information

TDR Targets ID: 1391482
Name: (5Z)-5-[(2-methyl-4-morpholin-4-ylphenyl)meth ylidene]-3-(phenylmethyl)imidazolidine-2,4-di one
MW: 377.436 | Formula: C22H23N3O3
H donors: 1 H acceptors: 2 LogP: 2.87 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N/C(=C\c2ccc(cc2C)N2CCOCC2)/C(=O)N1Cc1ccccc1
InChi: 1S/C22H23N3O3/c1-16-13-19(24-9-11-28-12-10-24)8-7-18(16)14-20-21(26)25(22(27)23-20)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,23,27)/b20-14-
InChiKey: DLZKKYVZRBNMCA-ZHZULCJRSA-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

(5Z)-5-[(2-methyl-4-morpholino-phenyl)methylene]-3-(phenylmethyl)imidazolidine-2,4-dione
(5Z)-5-[(2-methyl-4-morpholinophenyl)methylene]-3-(phenylmethyl)imidazolidine-2,4-dione
(5Z)-3-(benzyl)-5-(2-methyl-4-morpholino-benzylidene)hydantoin
(5Z)-5-[(2-methyl-4-morpholin-4-yl-phenyl)methylidene]-3-(phenylmethyl)imidazolidine-2,4-dione
STK162444
ZINC02830348
IDI1_023177
3-benzyl-5-[2-methyl-4-(4-morpholinyl)benzylidene]-2,4-imidazolidinedione
MLS000662422
SMR000292196

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
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
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
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	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0099	0.0962	0.1893
Brugia malayi	Papain family cysteine protease containing protein	0.0099	0.0962	0.3187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0109	0.1062	1
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0052	0.0126
Echinococcus granulosus	cathepsin L	0.0055	0.0509	0.0988
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Leishmania major	cysteine peptidase A (CPA)	0.0099	0.0962	0.876
Schistosoma mansoni	hypothetical protein	0.0205	0.2044	0.4075
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0023	0.0076
Schistosoma mansoni	cathepsin S (C01 family)	0.0025	0.02	0.04
Schistosoma mansoni	hypothetical protein	0.0494	0.5015	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0695	0.0681
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.003	0.0016
Echinococcus multilocularis	cathepsin b	0.0296	0.2985	0.2975
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0255	0.063
Brugia malayi	cathepsin L-like precursor	0.0069	0.0653	0.2149
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0025	0.02	0.0625
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0509	0.1015
Giardia lamblia	Cathepsin B precursor	0.0109	0.1062	1
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0344	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2875	0.9629
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.031	0.0296
Trypanosoma cruzi	cysteine peptidase, putative	0.0099	0.0962	0.2733
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.0509	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0055	0.0509	0.1108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Plasmodium vivax	vivapain-2	0.0099	0.0962	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0049	0.0034
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0099	0.0962	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0025	0.02	0.04
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0025	0.02	0.04
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Schistosoma mansoni	survival motor neuron protein	0.0058	0.054	0.1077
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.003	0.0061
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.02	0.1773
Trypanosoma cruzi	cysteine peptidase, putative	0.0099	0.0962	0.2733
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0023	0.0076
Entamoeba histolytica	cysteine proteinase, putative	0.0099	0.0962	1
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0509	0.1664
Plasmodium vivax	unspecified product	0.0055	0.0509	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0099	0.0962	0.0948
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0049	0.0068
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0388	0.0374
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0695	0.5
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0109	0.1062	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0025	0.02	0.04
Brugia malayi	cathepsin F-like cysteine proteinase	0.0025	0.02	0.0625
Trypanosoma cruzi	cysteine peptidase, putative	0.003	0.0251	0.018
Loa Loa (eye worm)	hypothetical protein	0.001	0.0049	0.0114
Schistosoma mansoni	hypothetical protein	0.0043	0.0388	0.0774
Giardia lamblia	Cathepsin B precursor	0.0109	0.1062	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0099	0.0962	0.2733
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0082	0.0068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.0509	0.4721
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.0794
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0099	0.0962	0.0948
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Loa Loa (eye worm)	cathepsin B	0.0109	0.1062	0.3524
Loa Loa (eye worm)	cysteine protease	0.0099	0.0962	0.3187
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0025	0.02	0.0625
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.0509	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0099	0.0962	0.2733
Schistosoma mansoni	cpg binding protein	0.0035	0.0298	0.0595
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0031
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2875	0.2864
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.054	0.1769
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0015	0.0029
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0296	0.2985	0.5952
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0025	0.02	0.0625
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0388	0.0747
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0025	0.02	0.04
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.0509	0.4054
Echinococcus multilocularis	cathepsin L	0.0025	0.02	0.0186
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0049	0.0034
Schistosoma mansoni	cathepsin B (C01 family)	0.0025	0.02	0.04
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0025	0.02	0.1773
Entamoeba histolytica	cysteine protease, putative	0.0099	0.0962	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0052	0.0075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0025	0.02	0.1773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Entamoeba histolytica	hypothetical protein	0.0043	0.0388	0.2468
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0099	0.0962	0.3187
Plasmodium vivax	vivapain-2	0.0099	0.0962	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0388	0.0774
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0051	0.0121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Brugia malayi	Cathepsin L-like precursor	0.0069	0.0653	0.2149
Echinococcus granulosus	cathepsin l1	0.0099	0.0962	0.1893
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0069	0.0653	0.6096
Brugia malayi	cathepsin B-like cysteine proteinase	0.0296	0.2985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0099	0.0962	0.9044
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0695	0.5744
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0255	0.0713
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0055	0.0509	0.4054
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.003	0.0031
Echinococcus granulosus	cysteine protease	0.0055	0.0509	0.0988
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0509	0.1015
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Echinococcus granulosus	cathepsin L	0.0025	0.02	0.0371
Trypanosoma cruzi	cysteine proteinase, putative	0.0055	0.0509	0.1108
Onchocerca volvulus		0.0058	0.054	0.4465
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Onchocerca volvulus		0.0099	0.0962	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0015	0.0029
Entamoeba histolytica	hypothetical protein	0.0043	0.0388	0.2468
Onchocerca volvulus	Cathepsin L homolog	0.0099	0.0962	1
Onchocerca volvulus		0.0069	0.0653	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0653	0.2149
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0109	0.1062	0.2117
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0052	0.0037
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0617	0.4835
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.02	0.1773
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.031	0.0993
Onchocerca volvulus		0.0099	0.0962	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0296	0.2985	0.5952
Giardia lamblia	Cathepsin B precursor	0.0109	0.1062	1
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.02	0.0625
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0025	0.02	0.04
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0698	0.1391
Schistosoma mansoni	cathepsin F (C01 family)	0.0099	0.0962	0.1917
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0099	0.0962	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0695	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0069	0.0653	0.1625
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0025	0.02	0.1773
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.02	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0653	0.2149
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.0509	0.4054
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0015	0.0029
Schistosoma mansoni	cathepsin F (C01 family)	0.0069	0.0653	0.1302
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0025	0.02	0.0625
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.0286	0.2587
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5015	0.5008
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5015	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0015	0.0029
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0025	0.02	0.04
Brugia malayi	hypothetical protein	0.003	0.0255	0.0807
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0055	0.0509	0.1108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.0509	0.3152
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0016
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0109	0.1062	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0388	0.2468
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0015	0.0029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Echinococcus multilocularis	cathepsin L cysteine protease	0.0099	0.0962	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0261	0.083
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0653	0.2149
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0069	0.0653	0.2149
Plasmodium vivax	vivapain-3	0.0055	0.0509	0.4054
Echinococcus granulosus	geminin	0.0205	0.2044	0.4058
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0695	0.1361
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Brugia malayi	fibroinase precursor	0.0025	0.02	0.0625
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0055	0.0509	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0962	0.3187
Entamoeba histolytica	hypothetical protein	0.0043	0.0388	0.2468
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Schistosoma mansoni	cpg binding protein	0.0037	0.0319	0.0635
Onchocerca volvulus		0.0099	0.0962	1
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.02	0.1773
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Schistosoma mansoni	cathepsin F (C01 family)	0.0099	0.0962	0.1917
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Brugia malayi	Cathepsin L-like precursor	0.003	0.0251	0.0794
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Schistosoma mansoni	cathepsin s	0.003	0.0251	0.05
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0025	0.02	0.1773
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0298	0.0954
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0298	0.0954
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.02	0.0625
Toxoplasma gondii	cathepsin B	0.0109	0.1062	1
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0049	0.0097
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0025	0.02	0.1773
Schistosoma mansoni	hypothetical protein	0.0014	0.0082	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Onchocerca volvulus	Cathepsin L homolog	0.0099	0.0962	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Brugia malayi	hypothetical protein	0.0043	0.0388	0.1257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Toxoplasma gondii	cathepsin CPL	0.0099	0.0962	0.8838
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Onchocerca volvulus		0.0035	0.0298	0.1285
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0695	0.1386
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0025	0.02	0.1773
Onchocerca volvulus	Cathepsin F homolog	0.0099	0.0962	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0296	0.2985	0.5952
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Onchocerca volvulus		0.0099	0.0962	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0015	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0055	0.0509	0.3152
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.0286	0.2587
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0255	0.0713
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0025	0.02	0.1773
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.003	0.0251	0.0794
Echinococcus multilocularis	cysteine protease	0.0099	0.0962	0.0948
Echinococcus granulosus	cathepsin b	0.0296	0.2985	0.594
Echinococcus multilocularis	cathepsin L	0.0055	0.0509	0.0495
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0255	0.0195
Plasmodium vivax	vivapain-1	0.0055	0.0509	0.4054
Trichomonas vaginalis	helicase, putative	0.0008	0.0023	0.0076
Brugia malayi	cathepsin F-like cysteine proteinase	0.003	0.0251	0.0794
Trypanosoma cruzi	cysteine proteinase, putative	0.0055	0.0509	0.1108
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0049	0.0068
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0296	0.2985	0.5952
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0695	0.1386
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0025	0.02	0.1773
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0049	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Echinococcus multilocularis	cysteine protease	0.0099	0.0962	0.0948
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0695	0.5
Echinococcus granulosus	cathepsin l1	0.0069	0.0653	0.1276
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.0794
Echinococcus multilocularis	cathepsin b	0.0296	0.2985	0.2975
Trypanosoma cruzi	cysteine protease, putative	0.0055	0.0509	0.1108
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.0794
Brugia malayi	hypothetical protein	0.002	0.0144	0.0434
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Brugia malayi	Cathepsin L-like precursor	0.0069	0.0653	0.2149
Onchocerca volvulus		0.0099	0.0962	1
Schistosoma mansoni	hypothetical protein	0.0205	0.2044	0.4075
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Loa Loa (eye worm)	ctsf protein	0.0099	0.0962	0.3187
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0025	0.02	0.04
Echinococcus granulosus	cathepsin b	0.0296	0.2985	0.594
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Entamoeba histolytica	cysteine proteinase, putative	0.0069	0.0653	0.5946
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0109	0.1062	0.3093
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.031	0.0993
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0023	0.0076
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Brugia malayi	cathepsin L precursor	0.0025	0.02	0.0625
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0099	0.0962	0.9044
Entamoeba histolytica	cysteine proteinase 1, putative	0.0055	0.0509	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0255	0.0195
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.02	0.1773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0069	0.0653	0.6096
Onchocerca volvulus		0.0099	0.0962	1
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0049	0.0097
Brugia malayi	hypothetical protein	0.0286	0.2875	0.9629
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0344	0.0685
Plasmodium vivax	unspecified product	0.003	0.0251	0.066
Echinococcus granulosus	cathepsin L cysteine protease	0.0055	0.0509	0.0988
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0099	0.0962	0.876
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0695	0.5
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0025	0.02	0.0625
Schistosoma mansoni	cpg binding protein	0.0037	0.0319	0.0635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0025	0.02	0.04
Loa Loa (eye worm)	hypothetical protein	0.003	0.0255	0.0807
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0099	0.0962	0.3187
Trypanosoma cruzi	cruzipain precursor, putative	0.003	0.0251	0.018
Entamoeba histolytica	cysteine proteinase 2	0.0055	0.0509	0.4054
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0023	0.0076
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0082	0.0135
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0255	0.0713
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0099	0.0962	0.2733
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0296	0.2985	1
Echinococcus multilocularis	geminin	0.0205	0.2044	0.2032
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.031	0.059
Brugia malayi	cathepsin L-like cysteine proteinase	0.0025	0.02	0.0625
Brugia malayi	Papain family cysteine protease containing protein	0.0055	0.0509	0.1664
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0099	0.0962	0.1893
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0025	0.02	0.0625
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0099	0.0962	0.9044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.02	0.1773
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.003	0.0251	0.0794
Brugia malayi	Cathepsin L-like precursor	0.0099	0.0962	0.3187
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.0509	0.4721
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0099	0.0962	0.0948
Entamoeba histolytica	cysteine proteinase, putative	0.0099	0.0962	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0319	0.0607
Leishmania major	cathepsin L-like protease	0.0099	0.0962	0.876
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0099	0.0962	0.9044
Schistosoma mansoni	cathepsin C	0.0025	0.02	0.04
Loa Loa (eye worm)	fibroinase	0.0099	0.0962	0.3187
Loa Loa (eye worm)	hypothetical protein	0.0296	0.2985	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0025	0.02	0.04
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2875	0.572
Schistosoma mansoni	hypothetical protein	0.0058	0.054	0.1077
Onchocerca volvulus		0.0099	0.0962	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0695	0.5458
Echinococcus multilocularis	cpg binding protein	0.0037	0.0319	0.0304
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0099	0.0962	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0025	0.02	0.1773
Loa Loa (eye worm)	hypothetical protein	0.0025	0.02	0.0625
Entamoeba histolytica	cysteine protease, putative	0.0055	0.0509	0.4054

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0046 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.0586 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)	0.5623 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	6.5131 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	6.5131 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)	= 14.1254 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)	14.575 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 (functional)	22.3872 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	50.1187 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
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1530021

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1391482