TDR Targets

Basic information

Technical information

TDR Targets ID: 1443821
Name: methyl 6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5 ,6,7-tetrahydroindole-2-carboxylate
MW: 313.348 | Formula: C18H19NO4
H donors: 1 H acceptors: 2 LogP: 2.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)C1CC(=O)c2c(C1)[nH]c(c2C)C(=O)OC
InChi: 1S/C18H19NO4/c1-10-16-14(19-17(10)18(21)23-3)8-12(9-15(16)20)11-5-4-6-13(7-11)22-2/h4-7,12,19H,8-9H2,1-3H3
InChiKey: ZNJKSOQKDWJLHL-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

6-(3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester
4-keto-6-(3-methoxyphenyl)-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester
IVK/2008089

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Schistosoma mansoni	hypothetical protein	0.0205	0.0932	0.0932
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.024	0.1145	0.18
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.11	0.6362	0.6362
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0588	0.326	0.2389
Trypanosoma cruzi	cruzipain precursor, putative	0.0349	0.1806	0.0746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Loa Loa (eye worm)	hypothetical protein	0.0751	0.4247	0.4247
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Echinococcus granulosus	expressed conserved protein	0.0112	0.0368	0.0368
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0691	0.3884	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0349	0.1806	0.1806
Schistosoma mansoni	cathepsin C	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.024	0.1145	0.1145
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.024	0.1145	0.1145
Onchocerca volvulus		0.11	0.6362	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.024	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.11	0.6362	0.6362
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.024	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0062	0.007	0.007
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Echinococcus multilocularis	cathepsin L	0.024	0.1145	0.1145
Entamoeba histolytica	cysteine proteinase, putative	0.11	0.6362	1
Schistosoma mansoni	cathepsin S (C01 family)	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0751	0.4247	0.6676
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0412	0.0412
Giardia lamblia	Cathepsin B precursor	0.0691	0.3884	1
Echinococcus multilocularis	cathepsin L	0.0588	0.326	0.326
Onchocerca volvulus	Cathepsin L homolog	0.024	0.1145	0.0624
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.024	0.1145	0.1145
Entamoeba histolytica	cysteine proteinase, putative	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.024	0.1145	0.1145
Schistosoma mansoni	cathepsin B (C01 family)	0.024	0.1145	0.1145
Brugia malayi	Cathepsin L-like precursor	0.0751	0.4247	0.4247
Entamoeba histolytica	cysteine protease, putative	0.11	0.6362	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.024	0.1145	0.18
Entamoeba histolytica	hypothetical protein	0.024	0.1145	0.1232
Brugia malayi	Papain family cysteine protease containing protein	0.0588	0.326	0.326
Echinococcus granulosus	cathepsin b	0.1699	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.11	0.6362	0.6362
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Echinococcus multilocularis	cysteine protease	0.11	0.6362	0.6362
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Onchocerca volvulus		0.024	0.1145	0.0624
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Echinococcus multilocularis	cysteine protease	0.11	0.6362	0.6362
Echinococcus multilocularis	cathepsin b	0.1699	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	cysteine proteinase, putative	0.0588	0.326	0.4787
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.024	0.1145	0.18
Giardia lamblia	Cathepsin B precursor	0.0691	0.3884	1
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0044	0.0044
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Entamoeba histolytica	cysteine proteinase 2	0.0588	0.326	0.4787
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Entamoeba histolytica	cysteine proteinase, putative	0.0588	0.326	0.4787
Onchocerca volvulus		0.0751	0.4247	0.6199
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Leishmania major	cysteine peptidase A (CPA)	0.11	0.6362	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.024	0.1145	0.1145
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.11	0.6362	0.6362
Brugia malayi	Papain family cysteine protease containing protein	0.11	0.6362	0.6362
Brugia malayi	Papain family cysteine protease containing protein	0.024	0.1145	0.1145
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0588	0.326	0.326
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.024	0.1145	0.18
Plasmodium vivax	unspecified product	0.0588	0.326	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.11	0.6362	1
Schistosoma mansoni	cathepsin s	0.0349	0.1806	0.1806
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1699	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1699	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0588	0.326	0.326
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.11	0.6362	0.6362
Echinococcus granulosus	cathepsin b	0.1699	1	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.024	0.1145	0.1145
Echinococcus granulosus	cysteine protease	0.0588	0.326	0.326
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Plasmodium vivax	vivapain-1	0.0588	0.326	0.4054
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Entamoeba histolytica	cysteine proteinase, putative	0.0588	0.326	0.4787
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.024	0.1145	0.1232
Schistosoma mansoni	cathepsin F (C01 family)	0.11	0.6362	0.6362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Echinococcus multilocularis	geminin	0.0205	0.0932	0.0932
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Brugia malayi	hypothetical protein	0.0182	0.0798	0.0798
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Onchocerca volvulus		0.11	0.6362	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.11	0.6362	0.6362
Trypanosoma cruzi	cysteine peptidase, putative	0.11	0.6362	0.5892
Loa Loa (eye worm)	cysteine protease	0.11	0.6362	0.6362
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.11	0.6362	1
Echinococcus granulosus	cathepsin L	0.0588	0.326	0.326
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1806	0.1806
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Brugia malayi	Papain family cysteine protease containing protein	0.024	0.1145	0.1145
Brugia malayi	Papain family cysteine protease containing protein	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.11	0.6362	1
Onchocerca volvulus		0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.024	0.1145	0.18
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0412	0.0412
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.024	0.1145	0.1232
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1699	1	1
Onchocerca volvulus		0.11	0.6362	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.11	0.6362	1
Echinococcus granulosus	cathepsin l1	0.0751	0.4247	0.4247
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0349	0.1806	0.1806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0588	0.326	0.5124
Loa Loa (eye worm)	hypothetical protein	0.0751	0.4247	0.4247
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Echinococcus granulosus	cathepsin l cysteine peptidase	0.11	0.6362	0.6362
Trypanosoma cruzi	cysteine proteinase, putative	0.0588	0.326	0.2389
Echinococcus granulosus	cathepsin l1	0.11	0.6362	0.6362
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1806	0.1806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1806	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0412	0.0412
Plasmodium vivax	unspecified product	0.0349	0.1806	0.1266
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0588	0.326	0.326
Trypanosoma cruzi	cruzipain precursor, putative	0.11	0.6362	0.5892
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.024	0.1145	0.18
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0721	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0798	0.0798
Onchocerca volvulus	Cathepsin L homolog	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.024	0.1145	0.18
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Trypanosoma cruzi	cysteine peptidase, putative	0.11	0.6362	0.5892
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0691	0.3884	0.3884
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Brugia malayi	Cathepsin L-like precursor	0.0751	0.4247	0.4247
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Trypanosoma cruzi	cysteine protease, putative	0.0588	0.326	0.2389
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Entamoeba histolytica	cysteine proteinase 1, putative	0.0588	0.326	0.4787
Loa Loa (eye worm)	hypothetical protein	0.1699	1	1
Echinococcus granulosus	geminin	0.0205	0.0932	0.0932
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0588	0.326	0.5124
Onchocerca volvulus	Cathepsin L homolog	0.11	0.6362	1
Onchocerca volvulus	Cathepsin F homolog	0.11	0.6362	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0751	0.4247	0.4247
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.024	0.1145	0.18
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0349	0.1806	0.1806
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1699	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0691	0.3884	0.6104
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0588	0.326	0.4054
Brugia malayi	cathepsin L-like precursor	0.0751	0.4247	0.4247
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0588	0.326	0.326
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.024	0.1145	0.18
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.024	0.1145	0.18
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0721	0.0721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Loa Loa (eye worm)	fibroinase	0.11	0.6362	0.6362
Onchocerca volvulus		0.11	0.6362	1
Plasmodium vivax	vivapain-2	0.11	0.6362	1
Toxoplasma gondii	cathepsin CPL	0.11	0.6362	1
Entamoeba histolytica	cysteine proteinase, putative	0.0751	0.4247	0.6445
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.024	0.1145	0.1145
Schistosoma mansoni	cathepsin F (C01 family)	0.11	0.6362	0.6362
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0368	0.0368
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0423	0.0423
Trypanosoma cruzi	cysteine proteinase, putative	0.0588	0.326	0.2389
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Trypanosoma cruzi	cysteine peptidase, putative	0.11	0.6362	0.5892
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1699	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0751	0.4247	0.6676
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0412	0.0412
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.024	0.1145	0.1145
Entamoeba histolytica	cysteine proteinase, putative	0.0588	0.326	0.4787
Trichomonas vaginalis	conserved hypothetical protein	0.024	0.1145	0.18
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0751	0.4247	0.3503
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Toxoplasma gondii	cathepsin B	0.0691	0.3884	0.5249
Entamoeba histolytica	cysteine protease, putative	0.0588	0.326	0.4787
Loa Loa (eye worm)	hypothetical protein	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Brugia malayi	cathepsin Z-like cysteine proteinase	0.024	0.1145	0.1145
Plasmodium vivax	vivapain-3	0.0588	0.326	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.024	0.1145	0.18
Echinococcus multilocularis	cathepsin L cysteine protease	0.11	0.6362	0.6362
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.024	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0751	0.4247	0.4247
Brugia malayi	cathepsin F-like cysteine proteinase	0.0349	0.1806	0.1806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Giardia lamblia	Cathepsin B precursor	0.0691	0.3884	1
Brugia malayi	Papain family cysteine protease containing protein	0.0588	0.326	0.326
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.024	0.1145	0.18
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.024	0.1145	0.1145
Echinococcus granulosus	cathepsin L	0.024	0.1145	0.1145
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Onchocerca volvulus		0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Plasmodium vivax	vivapain-2	0.11	0.6362	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0588	0.326	0.2389
Trichomonas vaginalis	conserved hypothetical protein	0.024	0.1145	0.18
Schistosoma mansoni	hypothetical protein	0.0205	0.0932	0.0932
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Leishmania major	cathepsin L-like protease	0.11	0.6362	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.11	0.6362	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0751	0.4247	0.4247
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0691	0.3884	0.201
Brugia malayi	Cathepsin L-like precursor	0.11	0.6362	0.6362
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.024	0.1145	0.1145
Loa Loa (eye worm)	cathepsin B	0.0691	0.3884	0.3884
Onchocerca volvulus		0.11	0.6362	1
Echinococcus multilocularis	cathepsin b	0.1699	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0349	0.1806	0.0746
Loa Loa (eye worm)	ctsf protein	0.11	0.6362	0.6362
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.024	0.1145	0.1145
Trypanosoma cruzi	cysteine peptidase, putative	0.11	0.6362	0.5892
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.11	0.6362	1
Entamoeba histolytica	cysteine protease, putative	0.024	0.1145	0.1232
Brugia malayi	fibroinase precursor	0.024	0.1145	0.1145
Echinococcus multilocularis	cathepsin L cysteine protease	0.11	0.6362	0.6362
Brugia malayi	cathepsin L precursor	0.024	0.1145	0.1145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.11	0.6362	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.665 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	= 0.773 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	= 1.62 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	= 0.5012 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.631 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.6573 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)	0.7308 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)	0.7308 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)	0.7308 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 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)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	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: CHEMBL1595952

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1443821