TDR Targets

Basic information

Technical information

TDR Targets ID: 1380431
Name: N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahyd ro-1-benzothiophene-3-carboxamide
MW: 315.43 | Formula: C18H21NO2S
H donors: 1 H acceptors: 1 LogP: 4.04 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CCNC(=O)c1csc2c1CCCC2
InChi: 1S/C18H21NO2S/c1-21-14-8-6-13(7-9-14)10-11-19-18(20)16-12-22-17-5-3-2-4-15(16)17/h6-9,12H,2-5,10-11H2,1H3,(H,19,20)
InChiKey: UJGWPBVCZNBHPD-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
MLS000624536
SMR000323484
ZINC02708089

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	core-binding factor, beta subunit		No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	runt-related transcription factor 1	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133916	All targets in OG5_133916
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	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
Onchocerca volvulus		Get druggable targets OG5_133916	All targets in OG5_133916
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Mycobacterium ulcerans	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
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	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
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	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133916	All targets in OG5_133916
Candida albicans	aldehyde dehydrogenase	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
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
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
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Mycobacterium ulcerans	aldehyde dehydrogenase	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
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	hypothetical protein	Get druggable targets OG5_133916	All targets in OG5_133916
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	hypothetical protein	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 japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Cathepsin L homolog	0.0151	0.2725	0.2335
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0104	0.183	0.1785
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0509	0.0459
Echinococcus granulosus	cathepsin b	0.0319	0.5903	0.6394
Trypanosoma cruzi	cysteine peptidase, putative	0.0151	0.2725	0.41
Entamoeba histolytica	cysteine proteinase, putative	0.0082	0.1412	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0082	0.1412	0.4054
Onchocerca volvulus		0.0104	0.183	0.1392
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0517	0.0546
Entamoeba histolytica	cysteine proteinase, putative	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	cysteine protease	0.0151	0.2725	0.2944
Brugia malayi	Papain family cysteine protease containing protein	0.0035	0.0517	0.0468
Onchocerca volvulus	Cathepsin L homolog	0.0151	0.2725	0.2335
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0517	0.1898
Onchocerca volvulus		0.0151	0.2725	0.2335
Giardia lamblia	Cathepsin B precursor	0.0123	0.2183	1
Onchocerca volvulus		0.0151	0.2725	0.2335
Schistosoma mansoni	cathepsin s	0.0047	0.0746	0.0795
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0082	0.1412	0.1662
Entamoeba histolytica	cysteine protease, putative	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0047	0.0746	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Giardia lamblia	Cathepsin B precursor	0.0123	0.2183	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0082	0.1412	0.1518
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0104	0.183	0.2438
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0517	0.0546
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0212	0.0215
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5903	0.6394
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Trypanosoma cruzi	cruzipain precursor, putative	0.0151	0.2725	0.41
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Toxoplasma gondii	cathepsin B	0.0123	0.2183	0.7543
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0035	0.0517	0.1898
Schistosoma mansoni	cathepsin B (C01 family)	0.0035	0.0517	0.0546
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0993	0.0944
Echinococcus multilocularis	cathepsin L cysteine protease	0.0151	0.2725	0.2944
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Echinococcus granulosus	cathepsin L	0.0035	0.0517	0.0546
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0082	0.1412	0.1518
Schistosoma mansoni	hypothetical protein	0.0019	0.0212	0.0215
Loa Loa (eye worm)	runx1	0.0067	0.1124	0.1075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.1412	0.5182
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0212	0.0215
Trypanosoma cruzi	cysteine protease, putative	0.0082	0.1412	0.1662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0104	0.183	0.6715
Onchocerca volvulus	Cathepsin F homolog	0.0151	0.2725	0.2335
Entamoeba histolytica	cysteine proteinase 1, putative	0.0082	0.1412	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0151	0.2725	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1242	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0517	0.0546
Echinococcus granulosus	cpg binding protein	0.0037	0.0546	0.0578
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0104	0.183	0.6715
Onchocerca volvulus	Cathepsin L homolog	0.0035	0.0517	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0535	1	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0047	0.0746	0.0698
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	cathepsin b	0.0319	0.5903	0.6394
Loa Loa (eye worm)	hypothetical protein	0.0104	0.183	0.1785
Onchocerca volvulus		0.0151	0.2725	0.2335
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0123	0.2183	0.5868
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Onchocerca volvulus		0.0151	0.2725	0.2335
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0746	0.0695
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0151	0.2725	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0632	0.067
Echinococcus granulosus	cysteine protease	0.0082	0.1412	0.1518
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0517	0.1898
Trypanosoma cruzi	cysteine proteinase, putative	0.0082	0.1412	0.1662
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0632	0.0583
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0517	0.0546
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Onchocerca volvulus		0.0151	0.2725	0.2335
Schistosoma mansoni	cathepsin F (C01 family)	0.0151	0.2725	0.2944
Plasmodium vivax	vivapain-2	0.0151	0.2725	1
Schistosoma mansoni	lozenge	0.0067	0.1124	0.1205
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0123	0.2183	0.801
Plasmodium vivax	vivapain-1	0.0082	0.1412	0.4054
Onchocerca volvulus		0.0535	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.9223	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0151	0.2725	0.2944
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Entamoeba histolytica	cysteine proteinase, putative	0.0082	0.1412	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0104	0.183	0.1787
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Plasmodium vivax	vivapain-3	0.0082	0.1412	0.4054
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0212	0.0215
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Echinococcus granulosus	GPCR family 2	0.0019	0.0212	0.0215
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0035	0.0517	0.0546
Brugia malayi	cathepsin L-like cysteine proteinase	0.0035	0.0517	0.0468
Schistosoma mansoni	hypothetical protein	0.0494	0.9223	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2725	0.2685
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0035	0.0517	0.0465
Brugia malayi	Papain family cysteine protease containing protein	0.0082	0.1412	0.1368
Schistosoma mansoni	cpg binding protein	0.0037	0.0546	0.0578
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0082	0.1412	0.4054
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0212	0.0161
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Brugia malayi	Cathepsin L-like precursor	0.0104	0.183	0.1787
Echinococcus multilocularis	cpg binding protein	0.0037	0.0546	0.0578
Brugia malayi	Cathepsin L-like precursor	0.0047	0.0746	0.0698
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0123	0.2183	0.2355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0151	0.2725	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0151	0.2725	0.41
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5903	0.6394
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0035	0.0517	0.1898
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0509	0.0537
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0035	0.0517	0.1898
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Echinococcus granulosus	cathepsin l1	0.0104	0.183	0.1972
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1247	0.1338
Schistosoma mansoni	cathepsin C	0.0035	0.0517	0.0546
Brugia malayi	cathepsin F-like cysteine proteinase	0.0035	0.0517	0.0468
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0319	0.5903	0.6394
Loa Loa (eye worm)	cysteine protease	0.0151	0.2725	0.2685
Entamoeba histolytica	cysteine proteinase, putative	0.0151	0.2725	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0035	0.0517	0.0546
Schistosoma mansoni	hypothetical protein	0.0019	0.0212	0.0215
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0054	0.0044
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0054	0.0044
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0082	0.1412	0.1518
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0151	0.2725	0.2944
Loa Loa (eye worm)	hypothetical protein	0.006	0.0993	0.0944
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0993	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Entamoeba histolytica	cysteine proteinase, putative	0.0082	0.1412	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Echinococcus granulosus	cathepsin l1	0.0151	0.2725	0.2944
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.0746	0.0425
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	cysteine protease	0.0151	0.2725	0.2944
Echinococcus multilocularis	cathepsin L	0.0035	0.0517	0.0546
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0123	0.2183	0.6342
Brugia malayi	Cathepsin L-like precursor	0.0104	0.183	0.1787
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0047	0.0746	0.0695
Echinococcus granulosus	cathepsin b	0.0319	0.5903	0.6394
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	cathepsin L-like precursor	0.0104	0.183	0.1787
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0035	0.0517	0.0468
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Schistosoma mansoni	hypothetical protein	0.0019	0.0212	0.0215
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0509	0.0457
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Loa Loa (eye worm)	hypothetical protein	0.0535	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0151	0.2725	0.41
Brugia malayi	Papain family cysteine protease containing protein	0.0082	0.1412	0.1368
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0035	0.0517	0.0468
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0035	0.0517	0.0546
Entamoeba histolytica	cysteine proteinase, putative	0.0104	0.183	0.5946
Giardia lamblia	Cathepsin B precursor	0.0123	0.2183	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0082	0.1412	0.1518
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0035	0.0517	0.0468
Brugia malayi	fibroinase precursor	0.0035	0.0517	0.0468
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1242	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0517	0.1898
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0993	0.0946
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1242	0.1333
Onchocerca volvulus		0.0035	0.0517	0.0009
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0151	0.2725	0.2944
Toxoplasma gondii	cathepsin CPL	0.0151	0.2725	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.5903	0.6394
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0035	0.0517	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0746	0.0695
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0035	0.0517	0.1898
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.183	0.1785
Schistosoma mansoni	hypothetical protein	0.0019	0.0212	0.0215
Echinococcus granulosus	cathepsin L	0.0082	0.1412	0.1518
Brugia malayi	Papain family cysteine protease containing protein	0.0151	0.2725	0.2687
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0035	0.0517	0.0546
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0123	0.2183	0.3093
Entamoeba histolytica	cysteine proteinase, putative	0.0082	0.1412	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	cathepsin b	0.0319	0.5903	0.6394
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0151	0.2725	0.2944
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0151	0.2725	0.41
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0212	0.0159
Onchocerca volvulus		0.0151	0.2725	0.2335
Trypanosoma cruzi	cysteine peptidase, putative	0.0082	0.1412	0.1662
Schistosoma mansoni	cathepsin F (C01 family)	0.0104	0.183	0.1972
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0151	0.2725	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0319	0.5903	0.588
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0319	0.5903	1
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0212	0.0215
Plasmodium vivax	unspecified product	0.0082	0.1412	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1242	0.1333
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0035	0.0517	0.0546
Leishmania major	cysteine peptidase A (CPA)	0.0151	0.2725	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0212	0.0159
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1242	0.3284
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0035	0.0517	0.0546
Brugia malayi	cathepsin L precursor	0.0035	0.0517	0.0468
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	0.0746	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0746	0.0695
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1242	0.1333
Brugia malayi	cathepsin B-like cysteine proteinase	0.0319	0.5903	0.5881
Loa Loa (eye worm)	cathepsin B	0.0123	0.2183	0.214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.1412	0.5182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0517	0.1898
Brugia malayi	Papain family cysteine protease containing protein	0.0035	0.0517	0.0468
Brugia malayi	Papain family cysteine protease containing protein	0.0035	0.0517	0.0468
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0035	0.0517	0.0465
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0151	0.2725	0.2944
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151	0.2725	1
Echinococcus multilocularis	cathepsin L	0.0082	0.1412	0.1518
Onchocerca volvulus		0.0151	0.2725	0.2335
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1242	0.1333
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0151	0.2725	0.2944
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.9223	1
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Plasmodium vivax	vivapain-2	0.0151	0.2725	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1242	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0151	0.2725	0.2685
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151	0.2725	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0035	0.0517	0.1898
Loa Loa (eye worm)	fibroinase	0.0151	0.2725	0.2685
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151	0.2725	1
Loa Loa (eye worm)	ctsf protein	0.0151	0.2725	0.2685
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0212	0.0161
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1098	0.2629
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1242	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0212	0.0215
Echinococcus multilocularis	Protein lozenge	0.0067	0.1124	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0517	0.0465
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0517	0.1898
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0151	0.2725	1
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Brugia malayi	Cathepsin L-like precursor	0.0151	0.2725	0.2687
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0632	0.058
Plasmodium vivax	unspecified product	0.0047	0.0746	0.1037
Leishmania major	cathepsin L-like protease	0.0151	0.2725	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0082	0.1412	0.1662
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0035	0.0517	0.1898
Entamoeba histolytica	cysteine protease, putative	0.0082	0.1412	0.4054
Schistosoma mansoni	cpg binding protein	0.0037	0.0546	0.0578

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7943 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)	3.2944 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)	= 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 (binding)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	11.6891 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	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)	22.3872 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	37.933 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1511476

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1380431