TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.402 | Formula: C17H27F3N2O5
H donors: 2 H acceptors: 3 LogP: 3.06 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CC(C[C@@H](C(=O)NCCC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCC(F)(F)F)C
InChi: 1S/C17H27F3N2O5/c1-9(2)5-6-21-14(23)11(7-10(3)4)22-15(24)12-13(27-12)16(25)26-8-17(18,19)20/h9-13H,5-8H2,1-4H3,(H,21,23)(H,22,24)/t11-,12-,13-/m0/s1
InChiKey: KBBSLXISIBNFJX-AVGNSLFASA-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	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
Brugia malayi	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
Loa Loa (eye worm)	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	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
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
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)	hypothetical protein	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
Echinococcus multilocularis	calpain family protein 1, d	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
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	family C2 unassigned peptidase C02 family	Get druggable targets OG5_127139	All targets in OG5_127139
Onchocerca volvulus		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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0012	0.005	0.0219
Loa Loa (eye worm)	sugar transporter	0.003	0.0251	0.1093
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0194	0.2596
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0132	0.0412
Entamoeba histolytica	protein kinase, putative	0.0021	0.0156	0.2423
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0305	0.1332
Onchocerca volvulus		0.0035	0.0305	0.441
Trypanosoma cruzi	glucose transporter, putative	0.003	0.0251	0.3353
Trichomonas vaginalis	esterase, putative	0.0035	0.0305	0.1332
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0132	0.0132
Echinococcus granulosus	neuropeptide receptor A26	0.0447	0.4909	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0047	0.0447	0.5979
Onchocerca volvulus		0.0035	0.0305	0.441
Brugia malayi	major facilitator superfamily protein	0.003	0.0251	0.1093
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.003	0.0251	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0065	0.0644	0.0972
Trypanosoma brucei	antigen, putative	0.0025	0.0194	0.2596
Toxoplasma gondii	sugar transporter ST1	0.003	0.0251	0.0378
Entamoeba histolytica	protein kinase, putative	0.0065	0.0644	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0049	0.0216
Echinococcus multilocularis	solute carrier family 22	0.003	0.0251	0.0412
Leishmania major	glucose transporter, lmgt2	0.0066	0.0653	0.8742
Toxoplasma gondii	exonuclease III APE	0.0019	0.0132	0.0199
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0305	0.1144
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0251	0.1093
Schistosoma mansoni	hypothetical protein	0.0213	0.2292	1
Echinococcus multilocularis	solute carrier family 22	0.003	0.0251	0.0412
Brugia malayi	glycyl-tRNA synthetase	0.0012	0.005	0.0219
Echinococcus multilocularis	solute carrier family 22	0.003	0.0251	0.0412
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Trichomonas vaginalis	myo-inositol transporter, putative	0.003	0.0251	0.1093
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Plasmodium falciparum	threonine--tRNA ligase	0.0012	0.005	0.005
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0902	1	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0305	0.1144
Toxoplasma gondii	facilitative glucose transporter GT1	0.0213	0.2292	0.3458
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0653	0.285
Entamoeba histolytica	glycyl-tRNA synthetase, putative	0.0012	0.005	0.078
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0305	0.1332
Schistosoma mansoni	ap endonuclease	0.0019	0.0132	0.0576
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.24	1
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.003	0.0251	0.5239
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Treponema pallidum	prolyl-tRNA synthetase	0.0023	0.0168	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trypanosoma cruzi	sugar transporter, putative	0.003	0.0251	0.3353
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0251	0.1093
Toxoplasma gondii	glycyl-tRNA synthetase	0.0012	0.005	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0496	0.2162
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Giardia lamblia	Hexose transporter	0.003	0.0251	0.346
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0653	0.8742
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0305	0.1332
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0653	0.285
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0653	0.285
Schistosoma mansoni	lysyl-tRNA synthetase	0.0047	0.0447	0.1949
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0132	0.6932
Leishmania major	myo-inositol/proton symporter (MIT)	0.003	0.0251	0.3353
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0305	0.4085
Brugia malayi	calpain 7	0.0025	0.0194	0.0846
Echinococcus multilocularis	solute carrier family 22	0.003	0.0251	0.0412
Schistosoma mansoni	calpain (C02 family)	0.0025	0.0194	0.0846
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.0629	0.2745
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Echinococcus granulosus	lysyl tRNA synthetase	0.0047	0.0447	0.0816
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0012	0.005	0.0672
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0132	0.0576
Leishmania major	cytochrome p450-like protein	0.0012	0.0049	0.0661
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.003	0.0251	0.0251
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0064	0.0629	0.9771
Schistosoma mansoni	protein kinase	0.0065	0.0644	0.281
Echinococcus granulosus	calcium dependent protein kinase	0.0061	0.0599	0.1129
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0035	0.0151
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0012	0.005	0.0672
Brugia malayi	beta-lactamase family protein	0.0035	0.0305	0.1332
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0305	0.1144
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0065	0.0644	0.0597
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0065	0.0644	0.0644
Schistosoma mansoni	protein kinase	0.0065	0.0644	0.281
Schistosoma mansoni	protein kinase	0.0065	0.0644	0.281
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0305	0.1144
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0012	0.005	0.0377
Mycobacterium ulcerans	lipase LipD	0.0035	0.0305	0.6566
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0305	0.1332
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0065	0.0644	0.281
Echinococcus multilocularis	synaptic vesicle 2 protein	0.003	0.0251	0.0412
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0251	0.1093
Plasmodium vivax	sugar transporter, putative	0.003	0.0251	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0213	0.2292	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Schistosoma mansoni	serine/threonine protein kinase	0.0065	0.0644	0.281
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0132	0.1768
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0049	0.0216
Schistosoma mansoni	glucose transport protein	0.0213	0.2292	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0.0035	0.0464
Schistosoma mansoni	lysyl-tRNA synthetase	0.0047	0.0447	0.1949
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Giardia lamblia	Lysyl-tRNA synthetase	0.0047	0.0447	0.6849
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0305	0.4085
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0074	0.0747	0.1128
Plasmodium vivax	calpain, putative	0.0025	0.0194	0.0144
Plasmodium falciparum	protein kinase 7	0.0601	0.6629	0.6629
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0065	0.0644	0.281
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0194	0.2596
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Echinococcus granulosus	calpain A	0.0025	0.0194	0.0296
Trypanosoma brucei	glucose transporter 2A	0.0066	0.0653	0.8742
Loa Loa (eye worm)	calpain 5	0.0017	0.0111	0.0483
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0305	0.0525
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.003	0.0251	0.3353
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0035	0.0151
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0012	0.005	0.0219
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0064	0.0629	0.2745
Loa Loa (eye worm)	calpain family protein 1	0.0048	0.0458	0.1998
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.004	0.0367	0.5587
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0132	0.2051
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0251	0.1093
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0012	0.005	0.0377
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0132	0.0576
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0132	0.0168
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0047	0.0447	0.6932
Loa Loa (eye worm)	sugar transporter	0.0213	0.2292	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0132	0.0576
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Schistosoma mansoni	sugar transporter	0.003	0.0251	0.1093
Echinococcus multilocularis	General substrate transporter	0.0183	0.1958	0.3927
Echinococcus multilocularis	neuropeptide s receptor	0.0447	0.4909	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0066	0.0653	0.8742
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0344	0.3756	0.3756
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0305	0.0256
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.004	0.0367	0.1405
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0305	0.1144
Echinococcus multilocularis	hypothetical protein	0.0025	0.0194	0.0296
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Leishmania major	hypothetical protein, conserved	0.0011	0.0035	0.0464
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0132	0.1414
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.0629	0.2745
Echinococcus multilocularis	calpain family protein 1, d	0.0048	0.0458	0.0839
Echinococcus granulosus	solute carrier family 22	0.003	0.0251	0.0412
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0074	0.0747	1
Echinococcus multilocularis	lysyl tRNA synthetase	0.0047	0.0447	0.0816
Loa Loa (eye worm)	calpain family protein 1	0.0066	0.0652	0.2844
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0074	0.0747	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0305	0.4085
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0011	0.0049
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Onchocerca volvulus		0.0035	0.0305	0.441
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0132	0.0082
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.003	0.0251	0.1093
Brugia malayi	hypothetical protein	0.003	0.0251	0.1093
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0074	0.0747	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Chlamydia trachomatis	proline--tRNA ligase	0.0023	0.0168	0.2978
Leishmania major	threonyl-tRNA synthetase, putative	0.0012	0.005	0.0672
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0017	0.0111	0.1718
Leishmania major	glucose transporter, lmgt3	0.0066	0.0653	0.8742
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0305	0.1144
Brugia malayi	lysyl-tRNA synthetase	0.0047	0.0447	0.1949
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0069	0.0685	0.1307
Brugia malayi	calpain family protein 1	0.0066	0.0652	0.2844
Brugia malayi	Cam kinase protein 1	0.0065	0.0644	0.281
Echinococcus multilocularis	calpain	0.0025	0.0194	0.0296
Echinococcus granulosus	neuropeptide s receptor	0.0447	0.4909	1
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0047	0.0447	0.5979
Loa Loa (eye worm)	calpain	0.0025	0.0194	0.0846
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Brugia malayi	Major Facilitator Superfamily protein	0.003	0.0251	0.1093
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0132	0.1768
Trichomonas vaginalis	glucose transporter, putative	0.003	0.0251	0.1093
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0652	0.2844
Schistosoma mansoni	calpain C (C02 family)	0.0025	0.0194	0.0846
Echinococcus granulosus	solute carrier family 22	0.003	0.0251	0.0412
Leishmania major	hypothetical protein, conserved	0.003	0.0251	0.3353
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.003	0.0251	0.5239
Trypanosoma cruzi	hexose transporter	0.0066	0.0653	0.8742
Mycobacterium ulcerans	integral membrane transport protein	0.003	0.0251	0.5239
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0458	0.1998
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0305	0.1144
Echinococcus granulosus	solute carrier family 22	0.003	0.0251	0.0412
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0049	0.0661
Echinococcus granulosus	synaptic vesicle 2 protein	0.003	0.0251	0.0412
Trypanosoma cruzi	hexose transporter, putative	0.003	0.0251	0.3353
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trypanosoma brucei	sugar transporter, putative	0.003	0.0251	0.3353
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0305	0.4085
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0653	0.8742
Brugia malayi	calpain family protein 1	0.0066	0.0652	0.2844
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0305	0.6566
Trichomonas vaginalis	glucose transporter, putative	0.0066	0.0653	0.285
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0064	0.0629	0.2745
Echinococcus multilocularis	calpain A	0.0069	0.0685	0.1307
Schistosoma mansoni	glucose transport protein	0.0213	0.2292	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0132	0.2364
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0305	0.1144
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0305	0.1332
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0065	0.0644	0.0644
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0042	0.0382	0.1664
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0447	0.1949
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0305	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0629	0.2745
Brugia malayi	hypothetical protein	0.003	0.0251	0.1093
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Schistosoma mansoni	glycyl-tRNA synthetase	0.0012	0.005	0.0219
Loa Loa (eye worm)	major facilitator superfamily transporter	0.003	0.0251	0.1093
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0305	0.1332
Toxoplasma gondii	ABC1 family protein	0.0035	0.0305	0.0461
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0685	0.299
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0629	0.2745
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Plasmodium falciparum	proline--tRNA ligase	0.0074	0.0747	0.0747
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Schistosoma mansoni	glucose transporter	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.003	0.0251	0.0913
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Echinococcus multilocularis	calcium dependent protein kinase	0.0061	0.0599	0.1129
Brugia malayi	Sugar transporter family protein	0.003	0.0251	0.1093
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0132	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0569	0.2481
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0012	0.005	0.0262
Toxoplasma gondii	sugar transporter ST2	0.003	0.0251	0.0378
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trypanosoma brucei	kinesin, putative	0.0017	0.0111	0.148
Brugia malayi	beta-lactamase	0.0035	0.0305	0.1332
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0305	0.1332
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0685	0.299
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0049	0.0216
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Trichomonas vaginalis	sugar transport protein, putative	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0375	0.1634
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Trypanosoma brucei	cytochrome P450, putative	0.0012	0.0049	0.0661
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0305	0.1144
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0065	0.0644	0.0597
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0065	0.0644	0.0972
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0305	0.4551
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0012	0.005	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Toxoplasma gondii	lysine-tRNA ligase	0.0047	0.0447	0.0674
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0047	0.0447	1
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0065	0.0644	0.0644
Echinococcus granulosus	solute carrier family 22	0.003	0.0251	0.0412
Brugia malayi	calpain 5	0.0017	0.0111	0.0483
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0305	0.1144
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0065	0.0644	0.0644
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0012	0.005	0.0219
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0012	0.005	0.0672
Leishmania major	lysyl-tRNA synthetase, putative	0.0047	0.0447	0.5979
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0065	0.0644	0.8617
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Plasmodium vivax	lysine--tRNA ligase, putative	0.0047	0.0447	0.0399
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0251	0.1093
Trypanosoma cruzi	Aminoacyl-tRNA editing domain containing protein, putative	0.0011	0.0035	0.0464
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.003	0.0251	0.0913
Schistosoma mansoni	ap endonuclease	0.0019	0.0132	0.0576
Toxoplasma gondii	YbaK/proline-tRNA ligase associated domain-containing protein	0.0011	0.0035	0.0052
Plasmodium falciparum	lysine--tRNA ligase	0.0047	0.0447	0.0447
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0064	0.0629	0.2745
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0012	0.005	0.078
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0025	0.0194	0.2596
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0.0035	0.0464
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.004	0.0367	0.1405
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0064	0.0629	0.1192
Toxoplasma gondii	transporter, major facilitator family protein	0.003	0.0251	0.0378
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0653	0.8742
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0049	0.0661
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Onchocerca volvulus		0.0041	0.0375	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.005	0.0219
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Trypanosoma brucei	glucose transporter 1E	0.0066	0.0653	0.8742
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Leishmania major	glucose transporter, lmgt1	0.0066	0.0653	0.8742
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0012	0.005	0.0066
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0319	0.4272
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0012	0.005	0.0076
Trypanosoma cruzi	kinesin, putative	0.0017	0.0111	0.148
Trichomonas vaginalis	sugar transporter, putative	0.0066	0.0653	0.285
Trypanosoma brucei	Aminoacyl-tRNA editing domain containing protein, putative	0.0011	0.0035	0.0464
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0065	0.0644	0.1222
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0012	0.005	0.0672
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0251	0.1093
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0305	0.6566
Chlamydia trachomatis	lysine--tRNA ligase	0.0047	0.0447	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0213	0.2292	0.4614
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0047	0.0447	0.1949
Trypanosoma cruzi	Aminoacyl-tRNA editing domain containing protein, putative	0.0011	0.0035	0.0464
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0132	0.1768
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0074	0.0747	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0047	0.0447	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.003	0.0251	0.0412
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0305	0.6566
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0194	0.2596
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0025	0.0194	0.0846
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0653	0.8742
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0213	0.2292	0.4614
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0065	0.0644	0.1222
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0012	0.005	0.0219
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0652	0.2844
Toxoplasma gondii	protein kinase, putative	0.0601	0.6629	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0344	0.3756	0.3724
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0068	0.0678	0.0631
Echinococcus multilocularis	calpain 5	0.0025	0.0194	0.0296
Leishmania major	hypothetical protein, conserved	0.0011	0.0035	0.0464
Trichomonas vaginalis	glucose transporter, putative	0.0066	0.0653	0.285
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0305	0.4551
Brugia malayi	beta-lactamase family protein	0.0035	0.0305	0.1332
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0194	0.2596
Brugia malayi	Sugar transporter family protein	0.0213	0.2292	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0344	0.3756	0.5665
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Echinococcus granulosus	calpain A	0.0069	0.0685	0.1307
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0305	0.6566
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0074	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Brugia malayi	major facilitator superfamily protein	0.003	0.0251	0.1093
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0194	0.2596
Echinococcus granulosus	calpain	0.0025	0.0194	0.0296
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Brugia malayi	hypothetical protein	0.003	0.0251	0.1093
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0653	0.285
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0644	0.281
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0064	0.0629	0.1192
Echinococcus granulosus	General substrate transporter	0.0183	0.1958	0.3927
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0066	0.0653	0.8742
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0065	0.0644	0.0972
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0065	0.0644	0.0644
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0132	0.4085
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0065	0.0644	0.0597
Trichomonas vaginalis	CAMK family protein kinase	0.0065	0.0644	0.281
Trypanosoma cruzi	kinesin, putative	0.0017	0.0111	0.148
Echinococcus granulosus	calpain 7 C02 family	0.0025	0.0194	0.0296
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0049	0.0216
Entamoeba histolytica	protein kinase, putative	0.0065	0.0644	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0132	0.1768
Plasmodium vivax	hexose transporter	0.0213	0.2292	0.2253
Trypanosoma brucei	glucose transporter, putative	0.0066	0.0653	0.8742
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0012	0.0049	0.0357
Entamoeba histolytica	hypothetical protein	0.0047	0.0447	0.6938
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0023	0.0168	0.3243
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0305	0.1332
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.003	0.0251	0.0412
Loa Loa (eye worm)	hypothetical protein	0.003	0.0251	0.1093
Plasmodium vivax	proline--tRNA ligase, putative	0.0074	0.0747	0.0701
Schistosoma mansoni	calpain-7 (C02 family)	0.0025	0.0194	0.0846
Schistosoma mansoni	sugar transporter	0.003	0.0251	0.1093
Echinococcus multilocularis	calpain 7 (C02 family)	0.0025	0.0194	0.0296
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0305	0.1332
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0132	0.0576
Brugia malayi	Sugar transporter family protein	0.003	0.0251	0.1093
Leishmania major	kinesin, putative	0.0017	0.0111	0.148
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0035	0.0151
Leishmania major	protein kinase, putative	0.0065	0.0644	0.8617
Giardia lamblia	Prolyl-tRNA synthetase	0.0064	0.0629	1
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0026	0.0209	0.0912
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0064	0.0629	1
Trypanosoma cruzi	hexose transporter, putative	0.0066	0.0653	0.8742
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0305	0.1332
Schistosoma mansoni	glucose transport protein	0.0213	0.2292	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0194	0.2596
Schistosoma mansoni	sugar transporter	0.003	0.0251	0.1093
Plasmodium falciparum	hexose transporter	0.0213	0.2292	0.2292
Giardia lamblia	Sugar-proton symporter	0.003	0.0251	0.346
Schistosoma mansoni	sugar transporter	0.003	0.0251	0.1093
Trichomonas vaginalis	sugar transporter, putative	0.003	0.0251	0.1093
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0069	0.0685	0.1307
Echinococcus multilocularis	neuropeptide receptor A26	0.0447	0.4909	1
Echinococcus granulosus	calpain 5	0.0025	0.0194	0.0296
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0065	0.0644	0.281
Schistosoma mansoni	calpain-7 (C02 family)	0.0025	0.0194	0.0846
Toxoplasma gondii	sugar transporter ST3	0.003	0.0251	0.0378
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0049	0.0216
Mycobacterium ulcerans	sugar transporter	0.003	0.0251	0.5239
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0305	0.0525

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	0 uM	The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1); (+)indicates substantial inhibition by 5-44 microM	ChEMBL.	1597856
I50 (binding)	0 uM	The calpain inhibitory activity(I 50) was measured as ability to enter the platelet and inhibit calpain in the intact cells(assay 3); (+)indicates substantial inhibition by 5-44 microM	ChEMBL.	1597856
I50 (binding)	= 2 uM	The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)	ChEMBL.	1597856
IC50 (binding)	uM	The ability of compound to inhibit calpain in a preparation of lysed platelets was measured with a caseinolytic assay(assay 1); (+)indicates substantial inhibition by 5-44 microM	ChEMBL.	1597856
IC50 (binding)	uM	The calpain inhibitory activity(I 50) was measured as ability to enter the platelet and inhibit calpain in the intact cells(assay 3); (+)indicates substantial inhibition by 5-44 microM	ChEMBL.	1597856
IC50 (binding)	= 2 uM	The calpain inhibitory activity(I 50) was measured as ability to enter the platelet to inhibit calpain after cell lysis(assay 2)	ChEMBL.	1597856

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: CHEMBL64174

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 100970