TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.421 | Formula: C18H25N5O6
H donors: 2 H acceptors: 5 LogP: 2.46 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)c1ccc(o1)[N+](=O)[O-])CCC(C)C
InChi: 1S/C18H25N5O6/c1-4-5-9-22-15(19)14(16(24)20-18(22)26)21(10-8-11(2)3)17(25)12-6-7-13(29-12)23(27)28/h6-7,11H,4-5,8-10,19H2,1-3H3,(H,20,24,26)
InChiKey: XWOPHRSJNAHICW-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	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	protein kinase	0.0134	0.2783	0.2783
Schistosoma mansoni	voltage-gated potassium channel	0.0016	0.0072	0.0072
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0714	0.0714
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0714	0.0647
Echinococcus granulosus	Vam6:Vps39 protein	0.0132	0.2746	0.2704
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0984	0.0984
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.6094	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.2746	0.2704
Loa Loa (eye worm)	hypothetical protein	0.0446	0.9963	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1279	0.122
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0078	0.1517	0.1455
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0135	0.2819	1
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0135	0.2819	1
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0238	0.0238
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.1137	0.1077
Echinococcus granulosus	protein quaking	0.0033	0.047	0.0402
Brugia malayi	Protein kinase domain containing protein	0.0134	0.2783	0.2731
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0714	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0238	0.0167
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0984	0.0922
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0134	0.2783	0.3931
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0135	0.2819	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.1399	1
Echinococcus multilocularis	voltage gated potassium channel	0.0023	0.0238	0.024
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0134	0.2783	0.3931
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0446	0.9963	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0072	0.0072
Loa Loa (eye worm)	tumor suppressor	0.0388	0.8633	0.8655
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1884	1
Brugia malayi	Temporarily assigned gene name protein 59	0.0132	0.2746	0.2693
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0182	0.3906	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0132	0.2746	0.2704
Brugia malayi	beta-lactamase family protein	0.0043	0.0714	0.0647
Brugia malayi	beta-lactamase	0.0043	0.0714	0.0647
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0714	0.0649
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1884	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0135	0.2819	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.1137	0.1544
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0134	0.2783	0.2741
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0078	0.1517	0.1461
Schistosoma mansoni	serine/threonine protein kinase	0.0134	0.2783	0.2783
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.1884	0.2627
Schistosoma mansoni	voltage-gated potassium channel	0.0086	0.1683	0.1683
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1884	0.1832
Trypanosoma brucei	calpain, putative	0.0135	0.2819	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0984	0.1322
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.1884	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Onchocerca volvulus		0.0132	0.2746	0.6367
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0134	0.2783	0.2741
Schistosoma mansoni	hypothetical protein	0.0033	0.047	0.047
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.1884	0.1832
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0984	0.0984
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.1884	0.1884
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0078	0.1517	0.1461
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0135	0.2819	1
Schistosoma mansoni	voltage-gated potassium channel	0.0023	0.0238	0.0238
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0714	0.4839
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.0134	0.2783	0.2741
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0132	0.2746	0.9656
Echinococcus multilocularis		0.0316	0.697	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0714	0.1768
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0984	0.0984
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0023	0.0238	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Echinococcus multilocularis	protein quaking	0.0033	0.047	0.0577
Schistosoma mansoni	hypothetical protein	0.0033	0.047	0.047
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0316	0.697	0.6974
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.1884	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0984	0.1322
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0714	0.0649
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.1137	0.4744
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0471	0.0403
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0132	0.2746	0.9656
Brugia malayi	Probable ClpP-like protease	0.0094	0.1884	0.1825
Brugia malayi	hypothetical protein	0.0033	0.0471	0.0401
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0714	0.4839
Schistosoma mansoni	serine/threonine protein kinase	0.0134	0.2783	0.2783
Onchocerca volvulus		0.0182	0.3906	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0984	0.0922
Trypanosoma brucei	calpain-like protein, putative	0.0135	0.2819	1
Schistosoma mansoni	protein kinase	0.0316	0.697	0.697
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0714	0.0714
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0714	0.4839
Brugia malayi	hypothetical protein	0.0182	0.3906	0.3861
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	0.5
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0132	0.2746	0.9656
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0132	0.2746	0.2746
Schistosoma mansoni	voltage-gated potassium channel	0.0086	0.1683	0.1683
Schistosoma mansoni	hypothetical protein	0.0132	0.2746	0.2746
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0078	0.1517	0.2095
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0072	0.0072
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0134	0.2783	0.2741
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0714	0.4839
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0135	0.2819	1
Trypanosoma brucei	hypothetical protein	0.0135	0.2819	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0714	0.0647
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0134	0.2783	0.3931
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0132	0.2746	0.2746
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0984	0.0922
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.1399	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0135	0.2819	1
Schistosoma mansoni	rap gtpase-activating protein	0.0132	0.2746	0.2746
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0714	0.1768
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0023	0.0238	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Brugia malayi	Temporarily assigned gene name protein 44	0.0033	0.0471	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0132	0.2746	0.2704
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0016	0.0072	0.0072
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1884	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0714	0.4839
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0714	0.0649
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0023	0.0238	0.024
Echinococcus granulosus	voltage gated potassium channel	0.0023	0.0238	0.0167
Echinococcus granulosus	hypothetical protein	0.0033	0.047	0.0402
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.0132	0.2746	0.3877
Toxoplasma gondii	ABC1 family protein	0.0043	0.0714	0.1768
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0714	0.1768
Brugia malayi	hypothetical protein	0.0132	0.2746	0.2693
Trichomonas vaginalis	esterase, putative	0.0043	0.0714	0.4839
Echinococcus granulosus	protein kinase	0.0316	0.697	0.6974
Brugia malayi	tumor suppressor.	0.0388	0.8633	0.8623
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0984	0.0919
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.0132	0.2746	0.2704
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0714	0.0931
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.1137	0.0786
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0016	0.0072	0.0072
Schistosoma mansoni	vam6/vps39 related	0.0132	0.2746	0.2746
Schistosoma mansoni	protein kinase	0.0448	1	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0135	0.2819	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.1137	0.0786

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 56.2341 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1550663

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1410081