TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 198.214 | Formula: C9H7FO2S
H donors: 1 H acceptors: 2 LogP: 2.33 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)/C=C(/C(=O)O)\S
InChi: 1S/C9H7FO2S/c10-7-3-1-2-6(4-7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-
InChiKey: VZNPOQRRWCKWSX-YVMONPNESA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Sus scrofa	Calpain 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		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	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
Echinococcus granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	calpain A	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)	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 family protein 1, d	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
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
Echinococcus granulosus	family C2 unassigned peptidase C02 family	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
Schistosoma japonicum	Calpain-1 catalytic subunit, putative	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
Loa Loa (eye worm)	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
Schistosoma mansoni	calpain (C02 family)	Calpain 1	714 aa	684 aa	31.0 %
Echinococcus multilocularis	hypothetical protein	Calpain 1	714 aa	716 aa	33.1 %
Schistosoma japonicum	Calpain-9, putative	Calpain 1	714 aa	671 aa	33.8 %
Schistosoma mansoni	calpain C (C02 family)	Calpain 1	714 aa	715 aa	33.4 %
Echinococcus multilocularis	calpain	Calpain 1	714 aa	695 aa	38.6 %
Echinococcus granulosus	calpain	Calpain 1	714 aa	695 aa	38.6 %
Echinococcus granulosus	calpain A	Calpain 1	714 aa	753 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0016	0.0365	0.063
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0591	0.1021
Echinococcus multilocularis	protein patched	0.0037	0.1345	0.1345
Echinococcus multilocularis	mitogen activated protein kinase 3	0.004	0.1481	0.1481
Entamoeba histolytica	hypothetical protein	0.0027	0.0851	0.2314
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0016	0.0365	0.063
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0204	0.9226	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0016	0.0365	0.063
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0014	0.0248	0.0674
Schistosoma mansoni	transcription factor LCR-F1	0.0027	0.0851	0.0851
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.0365	0.0365
Echinococcus multilocularis	GPCR, family 2	0.0014	0.0246	0.0246
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.004	0.1481	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0011	0.0127	0.0219
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0009	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2081	0.3592
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.229
Brugia malayi	nuclear receptor NHR-88	0.0016	0.0365	0.063
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.047	1
Onchocerca volvulus		0.0033	0.1142	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0018	0.0449	0.3032
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.1424	0.2458
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.001	0.0074	0.0074
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0016	0.0365	0.0395
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.047	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0016	0.0365	0.063
Echinococcus granulosus	lamin	0.0021	0.0591	0.0641
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0014	0.0248	0.139
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0016	0.0365	0.3195
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0044	0.1661	0.2867
Trichomonas vaginalis	CMGC family protein kinase	0.004	0.1481	1
Schistosoma mansoni	calpain (C02 family)	0.002	0.053	0.053
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.0365	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0016	0.0365	0.063
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0449	0.0775
Entamoeba histolytica	acyl-coA synthetase, putative	0.0019	0.047	0.1279
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0021	0.0591	0.1021
Entamoeba histolytica	hypothetical protein	0.0027	0.0851	0.2314
Loa Loa (eye worm)	hypothetical protein	0.0131	0.5793	1
Echinococcus multilocularis	expressed conserved protein	0.0081	0.3431	0.3431
Echinococcus granulosus	ecdysone induced protein 78C	0.0016	0.0365	0.0395
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.004	0.1481	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.047	0.1279
Trichomonas vaginalis	CMGC family protein kinase	0.004	0.1481	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0428
Onchocerca volvulus		0.0019	0.047	0.4121
Mycobacterium ulcerans	DNA polymerase IV	0.0018	0.0449	0.9544
Echinococcus multilocularis	musashi	0.0021	0.0591	0.0591
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0018	0.0449	0.9169
Brugia malayi	Niemann-Pick C1 protein precursor	0.0086	0.3679	0.635
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0019	0.047	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0016	0.0365	0.0365
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.0365	0.0395
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0641	0.0641
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0019	0.047	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0055	0.2193	0.2193
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0016	0.0365	0.063
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.047	1
Schistosoma mansoni	calpain C (C02 family)	0.002	0.053	0.053
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.004	0.1481	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0016	0.0365	0.063
Echinococcus granulosus	dna polymerase eta	0.0018	0.0449	0.0487
Echinococcus multilocularis	ecdysone induced protein 78C	0.0016	0.0365	0.0365
Schistosoma mansoni	serine/threonine protein kinase	0.004	0.1481	0.1481
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.047	0.0812
Schistosoma mansoni	hypothetical protein	0.0027	0.0851	0.0851
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0016	0.0365	0.0395
Echinococcus multilocularis	dna polymerase kappa	0.0018	0.0449	0.0449
Echinococcus granulosus	muscleblind protein	0.0131	0.5793	0.6278
Schistosoma mansoni	hypothetical protein	0.0036	0.1282	0.1282
Echinococcus multilocularis	mitogen activated protein kinase	0.004	0.1481	0.1481
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0018	0.0449	0.0449
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Echinococcus granulosus	calpain A	0.0055	0.2193	0.2377
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Brugia malayi	nuclear hormone receptor	0.0016	0.0365	0.063
Schistosoma mansoni	hypothetical protein	0.0014	0.0246	0.0246
Brugia malayi	steroid hormone receptor	0.0016	0.0365	0.063
Onchocerca volvulus		0.0016	0.0365	0.3195
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Loa Loa (eye worm)	hypothetical protein	0.0045	0.174	0.3004
Echinococcus granulosus	calpain 7 C02 family	0.002	0.053	0.0575
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0014	0.0246	0.0246
Leishmania major	DNA polymerase kappa, putative	0.0018	0.0449	0.1631
Trypanosoma brucei	calpain-like protein, putative	0.002	0.053	0.3581
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0016	0.0365	0.063
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1345	0.2322
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0428
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.1345	0.9085
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.3581
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0428
Trypanosoma brucei	unspecified product	0.0018	0.0449	0.3032
Echinococcus granulosus	expressed conserved protein	0.0081	0.3431	0.3718
Onchocerca volvulus		0.0021	0.0591	0.518
Trypanosoma brucei	calpain-like protein, putative	0.002	0.053	0.3581
Echinococcus multilocularis	calpain 7 (C02 family)	0.002	0.053	0.053
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.2081	0.2081
Loa Loa (eye worm)	calpain 5	0.0014	0.0248	0.0428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0016	0.0365	0.063
Schistosoma mansoni	RAR-like nuclear receptor	0.0016	0.0365	0.0365
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0016	0.0365	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0428
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0449	0.3032
Schistosoma mansoni	intermediate filament proteins	0.0021	0.0591	0.0591
Plasmodium vivax	acyl-CoA synthetase, putative	0.0014	0.0248	0.4681
Echinococcus multilocularis	calpain	0.002	0.053	0.053
Trypanosoma cruzi	kinesin, putative	0.0014	0.0248	0.1675
Echinococcus granulosus	Niemann Pick C1 protein	0.0086	0.3679	0.3987
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0016	0.0365	0.0365
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0011	0.0127	0.0219
Echinococcus granulosus	calpain A	0.002	0.053	0.0575
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0016	0.0365	0.063
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0018	0.0449	0.0487
Schistosoma mansoni	thyroid hormone receptor	0.022	1	1
Treponema pallidum	DNA ligase (lig)	0.0009	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0016	0.0365	0.0365
Giardia lamblia	DINP protein human, muc B family	0.0018	0.0449	0.3032
Schistosoma mansoni	hypothetical protein	0.0036	0.1282	0.1282
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.047	0.1804
Echinococcus multilocularis	muscleblind protein 1	0.0131	0.5793	0.5793
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.2081	0.3592
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.047	1
Echinococcus multilocularis	calpain A	0.0055	0.2193	0.2193
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0016	0.0365	0.0365
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Schistosoma mansoni	hypothetical protein	0.0036	0.1282	0.1282
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0016	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0131	0.5793	1
Echinococcus granulosus	dna polymerase kappa	0.0018	0.0449	0.0487
Echinococcus granulosus	mitogen activated protein kinase	0.004	0.1481	0.1605
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0088	0.3742	0.3742
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0183	0.1234
Schistosoma mansoni	hypothetical protein	0.0014	0.0246	0.0246
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0014	0.0246	0.0425
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0641	0.0641
Echinococcus multilocularis	calpain 5	0.002	0.053	0.053
Brugia malayi	Intermediate filament tail domain containing protein	0.0021	0.0591	0.1021
Loa Loa (eye worm)	hypothetical protein	0.001	0.0074	0.0128
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0016	0.0365	0.063
Loa Loa (eye worm)	hypothetical protein	0.0019	0.047	0.0812
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.047	0.1804
Brugia malayi	latrophilin 2 splice variant baaae	0.003	0.1006	0.1737
Brugia malayi	photoreceptor-specific nuclear receptor	0.0016	0.0365	0.063
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1798	0.3104
Plasmodium vivax	calpain, putative	0.002	0.053	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0044	0.1661	0.2867
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0365	0.0365
Loa Loa (eye worm)	intermediate filament protein	0.0021	0.0591	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Brugia malayi	calpain family protein 1	0.0053	0.2081	0.3592
Schistosoma mansoni	hypothetical protein	0.0014	0.0246	0.0246
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Trypanosoma brucei	calpain-like protein, putative	0.002	0.053	0.3581
Echinococcus granulosus	calpain 5	0.002	0.053	0.0575
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0016	0.0365	0.063
Entamoeba histolytica	hypothetical protein	0.0027	0.0851	0.2314
Schistosoma mansoni	hypothetical protein	0.003	0.1006	0.1006
Echinococcus multilocularis	calpain family protein 1, d	0.0039	0.1424	0.1424
Loa Loa (eye worm)	steroid hormone receptor	0.0016	0.0365	0.063
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0018	0.0449	0.3032
Trypanosoma brucei	kinesin, putative	0.0014	0.0248	0.1675
Mycobacterium ulcerans	hypothetical protein	0.0019	0.047	1
Leishmania major	DNA polymerase eta, putative	0.0018	0.0449	0.1631
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0449	0.3032
Echinococcus multilocularis	sterol regulatory element binding protein	0.0037	0.1345	0.1345
Trichomonas vaginalis	DNA polymerase eta, putative	0.0018	0.0449	0.3032
Trypanosoma brucei	calpain-like protein, putative	0.002	0.053	0.3581
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0204	0.9226	0.9226
Schistosoma mansoni	lamin	0.0021	0.0591	0.0591
Schistosoma mansoni	coup transcription factor	0.0016	0.0365	0.0365
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.0365	0.0365
Schistosoma mansoni	hypothetical protein	0.0036	0.1282	0.1282
Schistosoma mansoni	lamin	0.0021	0.0591	0.0591
Echinococcus multilocularis	FTZ F1 alpha	0.0016	0.0365	0.0365
Schistosoma mansoni	patched 1	0.0037	0.1345	0.1345
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.004	0.1481	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.004	0.1481	1
Brugia malayi	Muscleblind-like protein	0.0131	0.5793	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0016	0.0365	0.063
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Echinococcus multilocularis	dna polymerase eta	0.0018	0.0449	0.0449
Trypanosoma brucei	unspecified product	0.0013	0.0183	0.1234
Echinococcus multilocularis	muscleblind protein	0.0131	0.5793	0.5793
Echinococcus multilocularis	lamin dm0	0.0021	0.0591	0.0591
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.047	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0019	0.047	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Schistosoma mansoni	Mername-AA248 (C02 family)	0.002	0.053	0.053
Plasmodium falciparum	acyl-CoA synthetase	0.0014	0.0248	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0018	0.0449	0.0775
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0014	0.0246	0.0425
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.3581
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0573	0.0989
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.001	0.0056	0.0096
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.229
Echinococcus multilocularis	lamin	0.0021	0.0591	0.0591
Mycobacterium ulcerans	DNA polymerase IV	0.0018	0.0449	0.9544
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0016	0.0365	0.063
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0027	0.0851	0.0851
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.229
Brugia malayi	Steroid receptor seven-up type 2	0.0016	0.0365	0.063
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Brugia malayi	Latrophilin receptor protein 2	0.0014	0.0246	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1142	0.1971
Giardia lamblia	Kinase, CMGC MAPK	0.004	0.1481	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0018	0.0449	0.1631
Trichomonas vaginalis	CMGC family protein kinase	0.004	0.1481	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0018	0.0449	0.0449
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0027	0.0851	0.0923
Schistosoma mansoni	thyroid hormone receptor	0.022	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0016	0.0365	0.3195
Echinococcus granulosus	mitogen activated protein kinase 3	0.004	0.1481	0.1605
Echinococcus granulosus	sterol regulatory element binding protein	0.0037	0.1345	0.1458
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.004	0.1481	1
Schistosoma mansoni	DNA polymerase eta	0.0018	0.0449	0.0449
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.3581
Trypanosoma brucei	DNA polymerase IV, putative	0.0018	0.0449	0.3032
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0248	0.0428
Loa Loa (eye worm)	hypothetical protein	0.003	0.1006	0.1737
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0016	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0086	0.3679	0.635
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0016	0.0365	0.0365
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0055	0.2193	0.2377
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0018	0.0449	0.9169
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0246	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0016	0.0365	0.063
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.047	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.053	0.3581
Echinococcus multilocularis	Niemann Pick C1 protein	0.0124	0.5433	0.5433
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0449	0.0775
Brugia malayi	calpain 5	0.0014	0.0248	0.0428
Echinococcus granulosus	calpain	0.002	0.053	0.0575
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.2193	0.2193
Echinococcus granulosus	lamin dm0	0.0021	0.0591	0.0641
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0014	0.0246	0.0267
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0014	0.0246	0.0246
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0044	0.1661	0.2867
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.001	0.0074	0.008
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0037	0.1345	0.2322
Brugia malayi	ecdysteroid receptor	0.0016	0.0365	0.063
Brugia malayi	intermediate filament protein	0.0021	0.0591	0.1021
Trypanosoma cruzi	kinesin, putative	0.0014	0.0248	0.1675
Entamoeba histolytica	hypothetical protein	0.0027	0.0851	0.2314
Schistosoma mansoni	hypothetical protein	0.0014	0.0246	0.0246
Echinococcus granulosus	Protein patched homolog 1	0.0037	0.1345	0.1458
Entamoeba histolytica	protein kinase, putative	0.0014	0.0265	0.0721
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Loa Loa (eye worm)	hypothetical protein	0.0019	0.047	0.0812
Trypanosoma brucei	antigen, putative	0.002	0.053	0.3581
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0183	0.1234
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0016	0.0365	0.063
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1424	0.2458
Schistosoma mansoni	retinoic acid receptor RXR	0.0016	0.0365	0.0365
Brugia malayi	calpain 7	0.002	0.053	0.0915
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.3581
Trypanosoma brucei	unspecified product	0.0013	0.0183	0.1234
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Echinococcus multilocularis	protein dispatched 1	0.0042	0.1593	0.1593
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.047	0.1804
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0016	0.0365	0.0395
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0183	0.1234
Loa Loa (eye worm)	calpain	0.002	0.053	0.0915
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0016	0.0365	0.0365
Trichomonas vaginalis	CMGC family protein kinase	0.004	0.1481	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.053	0.3581
Onchocerca volvulus	Bile acid receptor homolog	0.0016	0.0365	0.3195
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1661	0.2867
Echinococcus multilocularis	hypothetical protein	0.002	0.053	0.053
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0014	0.0248	0.5276
Loa Loa (eye worm)	hypothetical protein	0.001	0.0056	0.0096
Onchocerca volvulus		0.0021	0.0591	0.518
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0016	0.0365	0.0365
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.2193	0.2193
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0449	0.0775
Echinococcus granulosus	FTZ F1 alpha	0.0016	0.0365	0.0395
Brugia malayi	hypothetical protein	0.0027	0.0851	0.1469
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.004	0.1481	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.047	0.1279
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0014	0.0246	0.0267
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.047	0.0812
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0365	0.063
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0016	0.0365	0.063
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0016	0.0365	0.063
Brugia malayi	calpain family protein 1	0.0053	0.2081	0.3592
Trypanosoma brucei	DNA polymerase eta, putative	0.0018	0.0449	0.3032
Trypanosoma brucei	DNA polymerase kappa, putative	0.0018	0.0449	0.3032
Echinococcus granulosus	GPCR family 2	0.0014	0.0246	0.0267
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0016	0.0365	0.063
Trypanosoma brucei	protein kinase, putative	0.004	0.1481	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0018	0.0449	0.0449
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.047	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0124	0.5433	0.5888
Echinococcus multilocularis	Niemann Pick C1 protein	0.0086	0.3679	0.3679
Schistosoma mansoni	hypothetical protein	0.0204	0.9226	0.9226
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0018	0.0449	0.1221
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.053	0.3581
Loa Loa (eye worm)	hypothetical protein	0.0019	0.047	0.0812
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0016	0.0365	0.063
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.004	0.1481	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0016	0.0365	0.0395
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0019	0.047	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0365	0.063
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0086	0.3679	1
Brugia malayi	MAP kinase sur-1	0.004	0.1481	0.2556
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0014	0.0248	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0016	0.0365	0.0365
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.047	0.0812
Brugia malayi	CHE-14 protein	0.0037	0.1345	0.2322
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.004	0.1481	1
Echinococcus granulosus	intermediate filament protein	0.0021	0.0591	0.0641

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 19 uM	Inhibition of Ca2+-dependent activation of porcine calpain-1 using H-K(FAM)-EVYGMMK(DABCYL)-OH as substrate by FRET assay	ChEMBL.	No reference
IC50 (binding)	= 31.5 uM	Inhibition of Ca2+-dependent activation of porcine calpain-1 using SucLY-AMC as substrate	ChEMBL.	No reference

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: CHEMBL3221926

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1850722