TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.501 | Formula: C22H23N3O4S
H donors: 1 H acceptors: 5 LogP: 2.19 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(cc1)C)C#N
InChi: 1S/C22H23N3O4S/c1-16-7-9-20(10-8-16)30(28,29)25-14-18(13-23)12-21(25)22(27)24-19(15-26)11-17-5-3-2-4-6-17/h2-10,15,18-19,21H,11-12,14H2,1H3,(H,24,27)/t18-,19-,21-/m0/s1
InChiKey: XVWXCCZGFARKAQ-ZJOUEHCJSA-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	cathepsin B	Starlite/ChEMBL	References
Homo sapiens	calpain 1, (mu/I) large subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Toxoplasma gondii	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	ko:K08585 calpain, invertebrate, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	calpain family protein 1, d	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania donovani	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	SmCB2 peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Calpain-A, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Calpain-1 catalytic subunit, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Leishmania infantum	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Neospora caninum	Cathepsin B-like protease (Precursor), related	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania mexicana	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei gambiense	cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	cathepsin B-like cysteine proteinase	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	family C2 unassigned peptidase C02 family	Get druggable targets OG5_127139	All targets in OG5_127139
Brugia malayi	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	calpain A	calpain 1, (mu/I) large subunit	714 aa	753 aa	31.7 %
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0151	0.0464	0.8977
Plasmodium vivax	ataxin-2 like protein, putative	0.0104	0.0291	0.6278
Schistosoma mansoni	hypothetical protein	0.0872	0.3102	0.3893
Echinococcus granulosus	cathepsin b	0.0166	0.0516	0.0648
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0112	0.0321	0.0402
Schistosoma mansoni	tar DNA-binding protein	0.2201	0.7968	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.011	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.0568	0.0568
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0151	0.0464	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0123	0.0123
Brugia malayi	hypothetical protein	0.0041	0.0061	0.0061
Schistosoma mansoni	hypothetical protein	0.0872	0.3102	0.3893
Schistosoma mansoni	hypothetical protein	0.0872	0.3102	0.3893
Echinococcus granulosus	replication factor c subunit 1	0.0041	0.0061	0.0076
Echinococcus granulosus	GPCR family 2	0.0872	0.3102	0.3893
Brugia malayi	mothers against decapentaplegic homolog 3	0.005	0.0093	0.0093
Echinococcus multilocularis	tar DNA binding protein	0.2201	0.7968	1
Brugia malayi	calpain family protein 1	0.0066	0.015	0.015
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0151	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Brugia malayi	MH1 domain containing protein	0.0112	0.0321	0.0321
Plasmodium vivax	replication factor C subunit 1, putative	0.0041	0.0061	0.1312
Schistosoma mansoni	smad	0.005	0.0093	0.0117
Echinococcus granulosus	mothers against decapentaplegic 5	0.0112	0.0321	0.0402
Leishmania major	hypothetical protein, conserved	0.0104	0.0291	0.6278
Loa Loa (eye worm)	hypothetical protein	0.1884	0.6807	0.6807
Echinococcus multilocularis	Smad4	0.0112	0.0321	0.0402
Brugia malayi	DKFZp564C0469 protein	0.0041	0.0061	0.0061
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0872	0.3102	0.3893
Brugia malayi	MH1 domain containing protein	0.0062	0.0137	0.0137
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.0516	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Echinococcus granulosus	calpain A	0.0069	0.0161	0.0202
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.011	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0069	0.0161	0.0202
Echinococcus multilocularis	cathepsin b	0.0166	0.0516	0.0648
Echinococcus granulosus	mothers against decapentaplegic 2	0.005	0.0093	0.0117
Loa Loa (eye worm)	Smad1	0.0112	0.0321	0.0321
Schistosoma mansoni	Smad4	0.0112	0.0321	0.0402
Onchocerca volvulus		0.0041	0.0061	0.0005
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.005	0.0093	0.0102
Brugia malayi	RNA binding protein	0.2201	0.7968	0.7968
Schistosoma mansoni	tar DNA-binding protein	0.2201	0.7968	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.005	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0087	0.0087
Brugia malayi	calpain family protein 1	0.0066	0.015	0.015
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.0516	0.0648
Toxoplasma gondii	isocitrate dehydrogenase	0.0151	0.0464	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.0516	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0061	0.1178
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.0291	0.5716
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0059	0.0059
Brugia malayi	hypothetical protein	0.0947	0.3377	0.3377
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0291	0.0291
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.011	0.2362
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.0291	0.5716
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0872	0.3102	0.3893
Echinococcus multilocularis	nibrin	0.0041	0.0061	0.0076
Echinococcus granulosus	smad	0.0112	0.0321	0.0402
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0151	0.0464	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0112	0.0321	0.0321
Schistosoma mansoni	Smad4	0.005	0.0093	0.0117
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.011	0.2121
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.018	0.0568	0.1535
Echinococcus granulosus	Smad4	0.0112	0.0321	0.0402
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0516	0.0516
Echinococcus granulosus	nibrin	0.0041	0.0061	0.0076
Brugia malayi	isocitrate dehydrogenase	0.0151	0.0464	0.0464
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.0516	0.0648
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0151	0.0464	0.0582
Toxoplasma gondii	isocitrate dehydrogenase	0.0151	0.0464	1
Loa Loa (eye worm)	calpain family protein 1	0.0048	0.0087	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0872	0.3102	0.3102
Schistosoma mansoni	tar DNA-binding protein	0.2201	0.7968	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0047	0.008	0.0101
Brugia malayi	hypothetical protein	0.0104	0.0291	0.0291
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.011	0.0137
Brugia malayi	Pax transcription activation domain interacting protein	0.0041	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0947	0.3377	0.3377
Toxoplasma gondii	cathepsin B	0.0055	0.011	0.1209
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0151	0.0464	0.8977
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0872	0.3102	0.3893
Entamoeba histolytica	hypothetical protein	0.0041	0.0061	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0151	0.0464	0.0464
Brugia malayi	topoisomerase	0.0041	0.0061	0.0061
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0872	0.3102	0.3102
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0061	0.1312
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0041	0.0061	0.5
Echinococcus granulosus	tar DNA binding protein	0.2201	0.7968	1
Brugia malayi	hypothetical protein	0.0041	0.0061	0.0061
Brugia malayi	MH2 domain containing protein	0.0112	0.0321	0.0321
Brugia malayi	MH1 domain containing protein	0.0112	0.0321	0.0321
Echinococcus multilocularis	replication factor c subunit 1	0.0041	0.0061	0.0076
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.2201	0.7968	0.7968
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.0291	0.5635
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0041	0.0061	0.1178
Treponema pallidum	DNA ligase (lig)	0.0041	0.0061	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.005	0.0093	0.0093
Loa Loa (eye worm)	transcription factor SMAD2	0.1649	0.5948	0.5948
Echinococcus multilocularis	mothers against decapentaplegic 2	0.005	0.0093	0.0117
Toxoplasma gondii	LsmAD domain-containing protein	0.0104	0.0291	0.5716
Schistosoma mansoni	smad1 5 8 and	0.0112	0.0321	0.0402
Loa Loa (eye worm)	hypothetical protein	0.005	0.0093	0.0093
Brugia malayi	MH2 domain containing protein	0.1649	0.5948	0.5948
Chlamydia trachomatis	DNA ligase	0.0041	0.0061	0.5
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0151	0.0464	0.0582
Loa Loa (eye worm)	hypothetical protein	0.2756	1	1
Echinococcus multilocularis	calpain A	0.0069	0.0161	0.0202
Schistosoma mansoni	smad1 5 8 and	0.0112	0.0321	0.0402
Onchocerca volvulus		0.0947	0.3377	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0872	0.3102	0.3102
Brugia malayi	N-terminal motif family protein	0.018	0.0568	0.0568
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0047	0.008	0.0101
Schistosoma mansoni	topbp1	0.0041	0.0061	0.0076
Brugia malayi	TAR-binding protein	0.2201	0.7968	0.7968
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0161	0.0202
Echinococcus multilocularis	calpain family protein 1, d	0.0048	0.0087	0.0109
Schistosoma mansoni	topbp1	0.0041	0.0061	0.0076
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0151	0.0464	0.0582
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0161	0.0202
Loa Loa (eye worm)	MH2 domain-containing protein	0.1649	0.5948	0.5948
Giardia lamblia	Cathepsin B precursor	0.0055	0.011	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0151	0.0464	0.0582
Echinococcus multilocularis	mothers against decapentaplegic 6	0.005	0.0093	0.0117
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.011	0.2362
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0041	0.0061	0.5
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0151	0.0464	0.0582
Echinococcus multilocularis	smad	0.0112	0.0321	0.0402
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0872	0.3102	0.3893
Schistosoma mansoni	smad1 5 8 and	0.0112	0.0321	0.0402
Brugia malayi	RNA recognition motif domain containing protein	0.2201	0.7968	0.7968
Loa Loa (eye worm)	RNA binding protein	0.2201	0.7968	0.7968
Loa Loa (eye worm)	nuclear factor I	0.0062	0.0137	0.0137
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.2756	1	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0151	0.0464	0.0582
Loa Loa (eye worm)	MH1 domain-containing protein	0.0112	0.0321	0.0321
Loa Loa (eye worm)	cathepsin B	0.0055	0.011	0.011
Brugia malayi	MH2 domain containing protein	0.005	0.0093	0.0093
Brugia malayi	Calcitonin receptor-like protein seb-1	0.2756	1	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0041	0.0061	0.0076
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.0291	0.5635
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0137	0.0137
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0061	0.1178
Schistosoma mansoni	hypothetical protein	0.0872	0.3102	0.3893
Trypanosoma cruzi	FHA domain containing protein, putative	0.0041	0.0061	0.1178
Trypanosoma brucei	PAB1-binding protein , putative	0.0104	0.0291	0.6278
Schistosoma mansoni	Smad4	0.005	0.0093	0.0117
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0112	0.0321	0.0402
Schistosoma mansoni	DNA ligase IV	0.0041	0.0061	0.0076
Echinococcus multilocularis	GPCR, family 2	0.0872	0.3102	0.3893
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0151	0.0464	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Echinococcus granulosus	cathepsin b	0.0166	0.0516	0.0648
Brugia malayi	MH1 domain containing protein	0.0062	0.0137	0.0137
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.015	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.2201	0.7968	1
Echinococcus multilocularis	cathepsin b	0.0166	0.0516	0.0648
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0112	0.0321	0.0402
Loa Loa (eye worm)	calpain family protein 1	0.0066	0.015	0.015
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0041	0.0061	0.0061
Loa Loa (eye worm)	TAR-binding protein	0.2201	0.7968	0.7968
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Brugia malayi	latrophilin 2 splice variant baaae	0.1884	0.6807	0.6807
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0151	0.0464	1
Schistosoma mansoni	tar DNA-binding protein	0.2201	0.7968	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.011	1
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0041	0.0061	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0151	0.0464	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.0516	0.0648
Brugia malayi	Smad1	0.0112	0.0321	0.0321
Brugia malayi	hypothetical protein	0.0067	0.0156	0.0156
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0151	0.0464	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0872	0.3102	0.3102
Loa Loa (eye worm)	hypothetical protein	0.0066	0.015	0.015
Brugia malayi	MH2 domain containing protein	0.0112	0.0321	0.0321
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0069	0.0161	0.0202
Schistosoma mansoni	smad	0.0112	0.0321	0.0402
Schistosoma mansoni	hypothetical protein	0.0047	0.008	0.0101
Echinococcus granulosus	mothers against decapentaplegic 6	0.005	0.0093	0.0117
Echinococcus multilocularis	isocitrate dehydrogenase	0.0151	0.0464	0.0582
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0112	0.0321	0.0402
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0041	0.0061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0061	0.0061
Schistosoma mansoni	hypothetical protein	0.1884	0.6807	0.8543

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 28 nM	Compound was tested for inhibitory activity against recombinant human Calpain 1	ChEMBL.	9873596
IC50 (binding)	= 8700 nM	Compound was tested for inhibitory activity against Cathepsin B.	ChEMBL.	9873596
Inhibition (binding)	= 6 %	Compound was tested for inhibitory activity against alpha-chymotrypsin at concentration of 10 uM.	ChEMBL.	9873596

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: CHEMBL2367774

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1743767