TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.511 | Formula: C20H28N2O6S
H donors: 0 H acceptors: 4 LogP: 1.62 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN1C(=O)C(=O)c2c1ccc(c2)S(=O)(=O)N1[C@H](COC)CC[C@H]1COC
InChi: 1S/C20H28N2O6S/c1-4-5-10-21-18-9-8-16(11-17(18)19(23)20(21)24)29(25,26)22-14(12-27-2)6-7-15(22)13-28-3/h8-9,11,14-15H,4-7,10,12-13H2,1-3H3/t14-,15-/m0/s1
InChiKey: VLFCBGNDZUZPHA-GJZGRUSLSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	caspase 3, apoptosis-related cysteine peptidase	Starlite/ChEMBL	References
Homo sapiens	caspase 7, apoptosis-related cysteine peptidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	caspase-3 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma mansoni	caspase-7 (C14 family)	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus multilocularis	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase 3	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma japonicum	ko:K04397 caspase 7, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Schistosoma japonicum	ko:K02187 caspase 3, apoptosis-related cysteine protease, putative	Get druggable targets OG5_130238	All targets in OG5_130238
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	Get druggable targets OG5_130238	All targets in OG5_130238

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cell death protein 3 precursor	caspase 7, apoptosis-related cysteine peptidase	303 aa	256 aa	37.1 %
Brugia malayi	Cell death protein 3 precursor	caspase 3, apoptosis-related cysteine peptidase	277 aa	253 aa	38.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	integrin beta subunit	0.0181	0.5109	0.5109
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.104	0.104
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0063	0.1546	0.1546
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0114	0.3066	0.3066
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus multilocularis	cpg binding protein	0.0046	0.1025	0.1025
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0064	0.1567	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0606	0.0606
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0019	0.0216	0.0216
Plasmodium vivax	metacaspase 1, putative	0.0064	0.1567	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1546	0.1546
Mycobacterium tuberculosis	Probable oxidoreductase	0.0067	0.1655	0.1591
Echinococcus multilocularis	caspase	0.024	0.6874	0.6874
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0015	0.0075	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0067	0.1655	0.1655
Schistosoma mansoni	potassium channel beta	0.0019	0.0216	0.0216
Trypanosoma cruzi	cruzipain precursor, putative	0.0047	0.104	0.104
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Echinococcus granulosus	aldo keto reductase	0.0067	0.1655	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1567	0.1567
Schistosoma mansoni	hypothetical protein	0.0032	0.0606	0.0606
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0343	1	1
Brugia malayi	eukaryotic initiation factor 4A	0.0015	0.0075	0.0075
Trypanosoma cruzi	aldo/keto reductase, putative	0.0019	0.0216	0.0216
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.1655	0.1655
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0015	0.0075	0.0456
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.024	0.6874	0.6874
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0019	0.0216	0.0474
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Mycobacterium ulcerans	oxidoreductase	0.0067	0.1655	0.147
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.104	0.104
Echinococcus multilocularis	aldo keto reductase	0.0067	0.1655	0.1655
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0064	0.1567	0.1567
Leishmania major	cathepsin L-like protease	0.0047	0.104	0.104
Echinococcus granulosus	integrin alpha ps	0.0032	0.0606	0.0606
Brugia malayi	F/Y-rich N-terminus family protein	0.0013	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3196	0.3196
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.1655	0.1655
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.1655	0.1655
Trypanosoma cruzi	major cysteine proteinase, putative	0.0037	0.0738	0.0738
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Loa Loa (eye worm)	thymidylate synthase	0.0343	1	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0019	0.0216	0.0142
Echinococcus granulosus	voltage gated potassium channel subunit	0.0019	0.0216	0.0216
Toxoplasma gondii	aldo-keto reductase	0.0019	0.0216	0.0216
Mycobacterium tuberculosis	Conserved protein	0.0019	0.0216	0.0142
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0063	0.1546	0.1546
Entamoeba histolytica	aldose reductase, putative	0.0067	0.1655	1
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.4563	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.1655	0.3626
Trypanosoma cruzi	metacaspase, putative	0.0064	0.1567	0.1567
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0075	0.0075
Schistosoma mansoni	pol-related	0.0067	0.1655	0.1655
Leishmania major	cathepsin L-like protease	0.0047	0.104	0.104
Brugia malayi	Integrin beta pat-3 precursor	0.0308	0.8935	0.8935
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0063	0.1546	0.1546
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Brugia malayi	NADH-dependent xylose reductase	0.0019	0.0216	0.0216
Leishmania major	eukaryotic initiation factor 4a, putative	0.0015	0.0075	0.0075
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Giardia lamblia	Aldose reductase	0.0067	0.1655	1
Mycobacterium tuberculosis	Hypothetical protein	0.0163	0.4563	0.4522
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Schistosoma mansoni	hypothetical protein	0.0313	0.9092	0.9092
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0163	0.4563	0.4563
Leishmania major	metacaspase, putative	0.0064	0.1567	0.1567
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.1655	0.3626
Loa Loa (eye worm)	histone methyltransferase	0.0014	0.0038	0.0038
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0019	0.0216	0.0216
Echinococcus granulosus	aldo keto reductase	0.0067	0.1655	0.1655
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0015	0.0075	0.0075
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0064	0.1567	0.1567
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0019	0.0216	0.0216
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus multilocularis	thymidylate synthase	0.0343	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0019	0.0216	0.0216
Echinococcus multilocularis	caspase 3	0.0176	0.4937	0.4937
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Brugia malayi	Cell death protein 3 precursor	0.0064	0.1567	0.1567
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0015	0.0075	0.0075
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0019	0.0216	0.0216
Plasmodium vivax	aldehyde reductase, putative	0.0019	0.0216	0.0216
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0015	0.0075	0.0075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0019	0.0216	0.0216
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Loa Loa (eye worm)	oxidoreductase	0.0067	0.1655	0.1655
Echinococcus granulosus	integrin alpha 3	0.0115	0.3112	0.3112
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Trypanosoma cruzi	aldo-keto reductase	0.0067	0.1655	0.1655
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0093	0.2429	0.2429
Onchocerca volvulus		0.0067	0.1655	0.1655
Schistosoma mansoni	hypothetical protein	0.0063	0.1546	0.1546
Schistosoma mansoni	integrin alpha-ps	0.0067	0.1666	0.1666
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0015	0.0075	0.0165
Onchocerca volvulus		0.0067	0.1655	0.1655
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0015	0.0075	0.0075
Loa Loa (eye worm)	apoptosis regulator protein	0.0063	0.1546	0.1546
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0067	0.1655	0.1655
Plasmodium falciparum	metacaspase-like protein	0.0064	0.1567	0.1567
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0015	0.0075	0.0075
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus granulosus	integrin beta 2	0.0228	0.6523	0.6523
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0043	0.0917	0.0917
Onchocerca volvulus	Cell death protein 3 homolog	0.0064	0.1567	0.1567
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0044	0.095	0.095
Leishmania major	eukaryotic initiation factor 4a, putative	0.0015	0.0075	0.0075
Giardia lamblia	Aldose reductase	0.0067	0.1655	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0015	0.0075	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1567	0.1567
Trypanosoma cruzi	metacaspase, putative	0.0064	0.1567	0.1567
Brugia malayi	hypothetical protein	0.0163	0.4563	0.4563
Echinococcus granulosus	integrin alpha ps	0.0067	0.1666	0.1666
Schistosoma mansoni	caspase-3 (C14 family)	0.024	0.6874	0.6874
Schistosoma mansoni	hypothetical protein	0.0063	0.1546	0.1546
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0063	0.1546	0.1546
Echinococcus multilocularis	caspase 2	0.0064	0.1567	0.1567
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Trichomonas vaginalis	aldo-keto reductase, putative	0.0019	0.0216	0.0474
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0083	0.213	0.213
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0014	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0035	0.069	0.069
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Trypanosoma brucei	metacaspase MCA3	0.0064	0.1567	0.1503
Onchocerca volvulus		0.0067	0.1655	0.1655
Echinococcus granulosus	caspase	0.024	0.6874	0.6874
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0343	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1044	0.1044
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Trypanosoma brucei	prostaglandin f synthase	0.0067	0.1655	0.1591
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Schistosoma mansoni	integrin alpha-ps	0.0035	0.069	0.069
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Echinococcus granulosus	caspase 2	0.0064	0.1567	0.1567
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0064	0.1567	0.1567
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.024	0.6874	0.6874
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0015	0.0075	0.0075
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0047	0.1044	0.1044
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Onchocerca volvulus		0.0067	0.1655	0.1655
Echinococcus multilocularis	aldo keto reductase	0.0067	0.1655	0.1655
Echinococcus granulosus	caspase 8	0.0064	0.1567	0.1567
Echinococcus multilocularis	integrin alpha ps	0.0067	0.1666	0.1666
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.1655	0.3626
Schistosoma mansoni	aldo-keto reductase	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0015	0.0075	0.0075
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0343	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0313	0.9092	0.9092
Leishmania major	aldo-keto reductase-like protein	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0015	0.0075	0.0075
Onchocerca volvulus		0.0019	0.0216	0.0216
Onchocerca volvulus		0.0067	0.1655	0.1655
Plasmodium falciparum	aldo-keto reductase, putative	0.0019	0.0216	0.0216
Plasmodium falciparum	metacaspase 1	0.0064	0.1567	0.1567
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0067	0.1655	0.147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Trypanosoma brucei	metacaspase 5, putative	0.0064	0.1567	0.1503
Mycobacterium ulcerans	thymidylate synthase	0.0343	1	1
Leishmania major	cathepsin L-like protease	0.0047	0.104	0.104
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0019	0.0216	0.0216
Echinococcus granulosus	caspase 3	0.0176	0.4937	0.4937
Trypanosoma cruzi	aldo/keto reductase, putative	0.0067	0.1655	0.1655
Plasmodium vivax	hypothetical protein, conserved	0.0064	0.1567	0.1567
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0216	0.0474
Trypanosoma brucei	metacaspase	0.0064	0.1567	0.1503
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0063	0.1546	0.1546
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0015	0.0075	0.0075
Trypanosoma brucei	aldo-keto reductase, putative	0.0067	0.1655	0.1591
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Plasmodium falciparum	aldehyde reductase, putative	0.0019	0.0216	0.0216
Schistosoma mansoni	caspase-7 (C14 family)	0.0064	0.1567	0.1567
Echinococcus granulosus	aldo keto reductase	0.0067	0.1655	0.1655
Echinococcus multilocularis	caspase 8	0.0064	0.1567	0.1567
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Schistosoma mansoni	hypothetical protein	0.0063	0.1546	0.1546
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0047	0.104	0.0972
Echinococcus granulosus	dnaJ subfamily B	0.0313	0.9092	0.9092
Onchocerca volvulus		0.0343	1	1
Schistosoma mansoni	cpg binding protein	0.0044	0.095	0.095
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0019	0.0216	0.1308
Schistosoma mansoni	cpg binding protein	0.0046	0.1025	0.1025
Trypanosoma cruzi	metacaspase, putative	0.0064	0.1567	0.1567
Mycobacterium leprae	Conserved hypothetical protein	0.0048	0.1068	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1655	0.1655
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0015	0.0075	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Trypanosoma brucei	Metacaspase-4	0.0064	0.1567	0.1503
Echinococcus granulosus	aldehyde reductase	0.0048	0.1068	0.1068
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Entamoeba histolytica	aldose reductase, putative	0.0067	0.1655	1
Onchocerca volvulus		0.0067	0.1655	0.1655
Loa Loa (eye worm)	integrin beta-2	0.0308	0.8935	0.8935
Loa Loa (eye worm)	integrin alpha pat-2	0.0232	0.6633	0.6633
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0019	0.0216	0.1308
Trichomonas vaginalis	aldo-keto reductase, putative	0.0019	0.0216	0.0474
Echinococcus multilocularis	integrin alpha 3	0.0115	0.3112	0.3112
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0067	0.1655	0.1655
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Echinococcus multilocularis	integrin beta 2	0.0228	0.6523	0.6523
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0064	0.1567	0.1567
Loa Loa (eye worm)	oxidoreductase	0.0067	0.1655	0.1655
Echinococcus granulosus	hypothetical protein	0.0067	0.1655	0.1655
Echinococcus multilocularis	integrin alpha ps	0.0067	0.1666	0.1666
Onchocerca volvulus		0.0044	0.095	0.095
Brugia malayi	CXXC zinc finger family protein	0.0044	0.095	0.095
Echinococcus multilocularis	aldo keto reductase	0.0067	0.1655	0.1655
Schistosoma mansoni	cpg binding protein	0.0046	0.1025	0.1025
Echinococcus granulosus	cpg binding protein	0.0046	0.1025	0.1025
Schistosoma mansoni	apoptosis regulator bax	0.0063	0.1546	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2136	0.2136
Trypanosoma cruzi	metacaspase 5, putative	0.0064	0.1567	0.1567
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0019	0.0216	0.0216
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Leishmania major	prostaglandin f synthase, putative	0.0067	0.1655	0.1655
Echinococcus multilocularis	aldo keto reductase	0.0067	0.1655	0.1655
Toxoplasma gondii	aldose reductase, putative	0.0067	0.1655	0.1655
Schistosoma mansoni	caspase-7 (C14 family)	0.024	0.6874	0.6874
Loa Loa (eye worm)	oxidoreductase	0.0067	0.1655	0.1655
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0067	0.1655	0.1655
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0114	0.3066	0.3066
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0067	0.1655	0.1655
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0067	0.1655	0.3626
Trichomonas vaginalis	aldo-keto reductase, putative	0.0019	0.0216	0.0474
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0015	0.0075	0.0075
Treponema pallidum	ATP-dependent RNA helicase	0.0015	0.0075	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0014	0.0038	0.0038
Brugia malayi	hypothetical protein	0.0047	0.1044	0.1044
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Loa Loa (eye worm)	oxidoreductase	0.0067	0.1655	0.1655
Brugia malayi	Integrin alpha pat-2 precursor	0.015	0.4173	0.4173
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0063	0.1546	0.1546
Trypanosoma cruzi	metacaspase, putative	0.0064	0.1567	0.1567
Echinococcus multilocularis	aldehyde reductase	0.0048	0.1068	0.1068
Echinococcus multilocularis	integrin alpha ps	0.0032	0.0606	0.0606
Echinococcus granulosus	thymidylate synthase	0.0343	1	1
Trypanosoma brucei	metacaspase MCA2	0.0064	0.1567	0.1503
Trichomonas vaginalis	aldo-keto reductase, putative	0.0067	0.1655	0.3626
Schistosoma mansoni	aldo-keto reductase	0.0067	0.1655	0.1655
Plasmodium vivax	RNA helicase-1, putative	0.0015	0.0075	0.0075
Trypanosoma cruzi	metacaspase 5, putative	0.0064	0.1567	0.1567
Brugia malayi	Kelch motif family protein	0.0047	0.1044	0.1044
Trichomonas vaginalis	aldo/keto reductase, putative	0.0067	0.1655	0.3626
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.1567	0.3433
Entamoeba histolytica	aldose reductase, putative	0.0067	0.1655	1
Loa Loa (eye worm)	oxidoreductase	0.0067	0.1655	0.1655
Trypanosoma cruzi	cysteine peptidase, putative	0.0047	0.104	0.104
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0343	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0064	0.1567	0.3433
Schistosoma mansoni	integrin alpha	0.015	0.4173	0.4173

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.99 uM	Inhibition of human recombinant caspase-3 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay	ChEMBL.	23685941
IC50 (binding)	= 11.9 uM	Inhibition of human recombinant caspase-7 using Ac-DEVD-AMC as substrate assessed as accumulation of AMC preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence assay	ChEMBL.	23685941

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL2391980

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1780208