TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 509.615 | Formula: C31H27NO4S
H donors: 0 H acceptors: 0 LogP: 6.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)cc(c1)c1c(C#Cc2cscc2)c2c(n1C)ccc(c2)c1ccc(c(c1)OC)OC
InChi: 1S/C31H27NO4S/c1-32-28-10-7-21(22-8-11-29(35-4)30(17-22)36-5)16-27(28)26(9-6-20-12-13-37-19-20)31(32)23-14-24(33-2)18-25(15-23)34-3/h7-8,10-19H,1-5H3
InChiKey: CTNCTAMNDWJZST-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0136	0.0314	0.0832
Brugia malayi	MH1 domain containing protein	0.0118	0.0258	0.0258
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0136	0.0314	1
Brugia malayi	isocitrate dehydrogenase	0.0136	0.0314	0.0314
Echinococcus granulosus	geminin	0.0516	0.1541	0.4082
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0224	0.06	0.432
Entamoeba histolytica	hypothetical protein	0.0299	0.0841	0.2583
Echinococcus granulosus	peptidase Clp S14 family	0.0224	0.06	0.1589
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0136	0.0314	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.002	0.0649
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0224	0.06	0.5615
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0042	0.0011	0.0011
Brugia malayi	beta-lactamase family protein	0.0073	0.0113	0.0113
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.0334	0.0886
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.002	0.0054
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0096	0.0185	0.0489
Trichomonas vaginalis	esterase, putative	0.0073	0.0113	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0386	0.1122	0.1122
Brugia malayi	Isocitrate dehydrogenase	0.0136	0.0314	0.0314
Echinococcus multilocularis	GPCR, family 2	0.0386	0.1122	0.2973
Brugia malayi	RNA recognition motif domain containing protein	0.1208	0.3775	0.3775
Brugia malayi	RNA binding protein	0.1208	0.3775	0.3775
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0386	0.1122	0.1122
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.122	0.3814	0.3814
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0136	0.0314	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0113	0.3594
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.122	0.3814	0.3814
Brugia malayi	hypothetical protein	0.0299	0.0841	0.0841
Mycobacterium ulcerans	lipase LipD	0.0073	0.0113	0.1152
Brugia malayi	exodeoxyribonuclease III family protein	0.0042	0.0011	0.0011
Entamoeba histolytica	hypothetical protein	0.0299	0.0841	0.2583
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0113	0.0813
Loa Loa (eye worm)	MH2 domain-containing protein	0.0096	0.0185	0.0185
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0342	0.098	0.2596
Schistosoma mansoni	Smad4	0.0214	0.0566	0.1499
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0214	0.0566	0.1499
Schistosoma mansoni	smad	0.0096	0.0185	0.0489
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0113	0.0813
Echinococcus multilocularis	tar DNA binding protein	0.1208	0.3775	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0096	0.0185	0.0185
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0113	0.0813
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0386	0.1122	0.2973
Trypanosoma brucei	hypothetical protein, conserved	0.0073	0.0113	0.3594
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0113	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0342	0.098	0.2596
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0046	0.0026	0.0069
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0118	0.0257	0.1656
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0113	0.0113
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.0011	0.0932
Loa Loa (eye worm)	hypothetical protein	0.122	0.3814	0.3814
Loa Loa (eye worm)	MH2 domain-containing protein	0.0214	0.0566	0.0566
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.002	0.0054
Echinococcus granulosus	muscleblind protein	0.0295	0.0828	0.2195
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0113	0.1152
Echinococcus granulosus	tar DNA binding protein	0.1208	0.3775	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0103	0.021	0.2061
Brugia malayi	TAR-binding protein	0.1208	0.3775	0.3775
Schistosoma mansoni	hypothetical protein	0.0516	0.1541	0.4082
Echinococcus multilocularis	muscleblind protein 1	0.0295	0.0828	0.2195
Brugia malayi	beta-lactamase family protein	0.0073	0.0113	0.0113
Brugia malayi	mothers against decapentaplegic homolog 3	0.0096	0.0185	0.0185
Onchocerca volvulus		0.0149	0.0357	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0042	0.0011	0.0076
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0113	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0804	0.2471	0.6545
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0185	0.0185
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.002	0.0054
Brugia malayi	latrophilin 2 splice variant baaae	0.0834	0.2568	0.2568
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0386	0.1122	0.2973
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0113	0.0813
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0113	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0103	0.021	0.6694
Echinococcus granulosus	mothers against decapentaplegic 2	0.0096	0.0185	0.0489
Schistosoma mansoni	Smad4	0.0096	0.0185	0.0489
Brugia malayi	Smad1	0.0214	0.0566	0.0566
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.0334	0.0334
Echinococcus multilocularis	Smad4	0.0214	0.0566	0.1499
Schistosoma mansoni	hypothetical protein	0.0046	0.0026	0.0069
Schistosoma mansoni	ap endonuclease	0.0042	0.0011	0.0028
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.1047	0.3257	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0113	0.0299
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0113	0.0299
Schistosoma mansoni	hypothetical protein	0.0386	0.1122	0.2973
Toxoplasma gondii	isocitrate dehydrogenase	0.0136	0.0314	0.3132
Schistosoma mansoni	hypothetical protein	0.0386	0.1122	0.2973
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0096	0.0185	0.0489
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.0334	0.0886
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.002	0.0054
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0136	0.0314	0.0314
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0042	0.0011	0.0032
Echinococcus granulosus	GPCR family 2	0.0386	0.1122	0.2973
Schistosoma mansoni	tar DNA-binding protein	0.1208	0.3775	1
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.002	0.0054
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0136	0.0314	0.0832
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0113	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.3136	1	1
Schistosoma mansoni	ap endonuclease	0.0042	0.0011	0.0028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0334	0.0886
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0042	0.0011	0.0335
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0042	0.0011	0.0335
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.0334	0.0334
Loa Loa (eye worm)	nuclear factor I	0.0118	0.0258	0.0258
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0136	0.0314	0.3132
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0136	0.0314	0.3132
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.002	0.1807
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0113	1
Brugia malayi	hypothetical protein	0.0149	0.0357	0.0357
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	0.5
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0113	0.0813
Schistosoma mansoni	hypothetical protein	0.0386	0.1122	0.2973
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.0334	0.0886
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0113	0.0813
Schistosoma mansoni	hypothetical protein	0.0516	0.1541	0.4082
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.002	0.0649
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0113	0.0813
Brugia malayi	MH2 domain containing protein	0.0214	0.0566	0.0566
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0214	0.0566	0.1499
Entamoeba histolytica	hypothetical protein	0.0298	0.0838	0.2573
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0045	0.002	0.0063
Echinococcus multilocularis	muscleblind protein	0.0295	0.0828	0.2195
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0299	0.0841	0.2228
Entamoeba histolytica	hypothetical protein	0.0299	0.0841	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0136	0.0314	0.2263
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0042	0.0011	0.0335
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0136	0.0314	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0136	0.0314	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0103	0.021	0.2061
Brugia malayi	beta-lactamase	0.0073	0.0113	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0334	0.0886
Toxoplasma gondii	ABC1 family protein	0.0073	0.0113	0.1056
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.002	0.1807
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.0334	0.0886
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0113	0.0299
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0136	0.0314	0.0832
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0342	0.098	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0045	0.002	0.002
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.002	0.0054
Brugia malayi	Probable ClpP-like protease	0.0342	0.098	0.098
Plasmodium vivax	ataxin-2 like protein, putative	0.0103	0.021	0.2061
Schistosoma mansoni	hypothetical protein	0.0834	0.2568	0.6803
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.002	0.002
Echinococcus multilocularis	geminin	0.0516	0.1541	0.4082
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0096	0.0185	0.2931
Schistosoma mansoni	tar DNA-binding protein	0.1208	0.3775	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0828	0.0828
Leishmania major	hypothetical protein, conserved	0.0073	0.0113	0.3594
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0298	0.0838	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0342	0.098	0.098
Loa Loa (eye worm)	hypothetical protein	0.0386	0.1122	0.1122
Brugia malayi	hypothetical protein	0.0103	0.021	0.021
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0136	0.0314	0.0832
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0113	0.0299
Loa Loa (eye worm)	RNA binding protein	0.1208	0.3775	0.3775
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0042	0.0011	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0357	0.0357
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0136	0.0314	0.0832
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0214	0.0566	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0834	0.2568	0.2568
Echinococcus granulosus	mothers against decapentaplegic 6	0.0096	0.0185	0.0489
Trypanosoma brucei	PAB1-binding protein , putative	0.0103	0.021	0.6694
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Brugia malayi	MH1 domain containing protein	0.0214	0.0566	0.0566
Schistosoma mansoni	peptidase Clp (S14 family)	0.0342	0.098	0.2596
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.3136	1	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.002	0.0063
Schistosoma mansoni	tar DNA-binding protein	0.1208	0.3775	1
Giardia lamblia	DNA repair protein RAD52	0.1047	0.3257	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0224	0.06	0.1589
Echinococcus granulosus	mothers against decapentaplegic 5	0.0214	0.0566	0.1499
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0113	0.0113
Brugia malayi	MH2 domain containing protein	0.0096	0.0185	0.0185
Schistosoma mansoni	tar DNA-binding protein	0.1208	0.3775	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0042	0.0011	0.0028
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0118	0.0257	0.2538
Brugia malayi	MH1 domain containing protein	0.0214	0.0566	0.0566
Schistosoma mansoni	tar DNA-binding protein	0.1208	0.3775	1
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0113	0.0813
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0118	0.0257	0.2538
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0042	0.0011	0.0107
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0113	0.1152
Trypanosoma cruzi	hypothetical protein, conserved	0.0073	0.0113	0.3594
Entamoeba histolytica	hypothetical protein	0.0299	0.0841	0.2583
Leishmania major	hypothetical protein, conserved	0.0103	0.021	0.6694
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0342	0.098	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0113	0.0113
Schistosoma mansoni	smad1 5 8 and	0.0214	0.0566	0.1499
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0299	0.0841	0.2228
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0042	0.0011	0.0028
Schistosoma mansoni	Smad4	0.0096	0.0185	0.0489
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.0334	0.0886
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.002	0.1807
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0214	0.0566	0.1499
Brugia malayi	Muscleblind-like protein	0.0295	0.0828	0.0828
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0118	0.0257	0.2538
Toxoplasma gondii	hypothetical protein	0.0118	0.0257	0.2538
Schistosoma mansoni	smad1 5 8 and	0.0214	0.0566	0.1499
Brugia malayi	hypothetical protein	0.0067	0.0092	0.0092
Echinococcus multilocularis	isocitrate dehydrogenase	0.0136	0.0314	0.0832
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0113	0.0813
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0113	0.1152
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0342	0.098	1
Plasmodium vivax	hypothetical protein, conserved	0.0073	0.0113	0.1056
Loa Loa (eye worm)	MH1 domain-containing protein	0.0214	0.0566	0.0566
Schistosoma mansoni	smad	0.0214	0.0566	0.1499
Trypanosoma cruzi	PAB1-binding protein , putative	0.0103	0.021	0.6694
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.002	0.0054
Schistosoma mansoni	hypothetical protein	0.0386	0.1122	0.2973
Echinococcus multilocularis	smad	0.0214	0.0566	0.1499
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0224	0.06	0.432
Brugia malayi	MH1 domain containing protein	0.0118	0.0258	0.0258
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0042	0.0011	0.0335
Brugia malayi	Latrophilin receptor protein 2	0.0386	0.1122	0.1122
Toxoplasma gondii	isocitrate dehydrogenase	0.0136	0.0314	0.3132
Echinococcus granulosus	Smad4	0.0214	0.0566	0.1499
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.002	0.0649
Brugia malayi	Calcitonin receptor-like protein seb-1	0.122	0.3814	0.3814
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0342	0.098	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.1208	0.3775	0.3775
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0046	0.0026	0.0069
Schistosoma mansoni	hypothetical protein	0.0299	0.0841	0.2228
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.002	0.0649
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0386	0.1122	0.2973
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.0011	0.0932
Schistosoma mansoni	smad1 5 8 and	0.0214	0.0566	0.1499
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0386	0.1122	0.2973
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.002	0.0054
Schistosoma mansoni	transcription factor LCR-F1	0.0299	0.0841	0.2228
Loa Loa (eye worm)	hypothetical protein	0.0295	0.0828	0.0828
Loa Loa (eye worm)	Smad1	0.0214	0.0566	0.0566
Brugia malayi	MH2 domain containing protein	0.0214	0.0566	0.0566
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0113	0.1152
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0258	0.0258
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0113	0.0813
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0342	0.098	1
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0113	0.0113
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0468	0.1388	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0103	0.021	0.2061
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0136	0.0314	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0103	0.021	0.021
Loa Loa (eye worm)	TAR-binding protein	0.1208	0.3775	0.3775
Echinococcus granulosus	smad	0.0214	0.0566	0.1499

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.5131 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	281.8383 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	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: CHEMBL1411366

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1303218