TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 461.555 | Formula: C23H35N5O5
H donors: 3 H acceptors: 4 LogP: 3.01 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)c1[nH]c(c(c1C)C(=O)OCC)C)CCC(C)C
InChi: 1S/C23H35N5O5/c1-7-9-11-28-19(24)18(20(29)26-23(28)32)27(12-10-13(3)4)21(30)17-14(5)16(15(6)25-17)22(31)33-8-2/h13,25H,7-12,24H2,1-6H3,(H,26,29,32)
InChiKey: VOLNFGIPUKWSHN-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
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	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
Treponema pallidum	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
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	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
Mycobacterium ulcerans	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
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K06275 parvin, putative	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
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
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	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
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
Schistosoma mansoni	peptidase Clp (S14 family)	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
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	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
Echinococcus multilocularis	peptidase Clp (S14 family)	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
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	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
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	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
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
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	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 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
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 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.2375	0.6424
Schistosoma mansoni	hypothetical protein	0.0006	0.0189	0.0234
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0006	0.0189	0.0189
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0003	0.01	0.0278
Leishmania major	hypothetical protein, conserved	0.0094	0.361	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0003	0.01	0.1503
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0003	0.01	0.1462
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0664	0.1905
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0003	0.01	0.0122
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	0.5
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.001	0.036	0.045
Loa Loa (eye worm)	hypothetical protein	0.001	0.036	0.0979
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0003	0.01	0.01
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0006	0.0189	0.284
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0002	0.0024	0.036
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.3642	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0405	0.609
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0189	0.0509
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.3642	0.4589
Giardia lamblia	GTOR	0.0018	0.0664	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0033	0.1232	0.3196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0007	0.0225	0.3388
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0001	0.0003	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0009	0.0326	0.4879
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0018	0.0664	0.1834
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Onchocerca volvulus		0.0006	0.0189	0.0417
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.3642	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0405	0.1102
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0003	0.01	0.01
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0001	0.0003	0.0003
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.3642	0.3642
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0189	0.284
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0003	0.01	0.1462
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Onchocerca volvulus		0.0006	0.0189	0.0417
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0003	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Echinococcus granulosus	poly adp ribose polymerase 2	0.0009	0.0326	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0003	0.01	0.1503
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0003	0.01	0.1503
Echinococcus multilocularis	geminin	0.0205	0.7932	0.7932
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0006	0.0189	0.0509
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Brugia malayi	Patatin-like phospholipase family protein	0.0001	0.0003	0.0009
Brugia malayi	Liprin-alpha 2	0.0006	0.0189	0.0518
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Brugia malayi	hypothetical protein	0.0006	0.0189	0.0518
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0003	0.01	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0225	0.0609
Brugia malayi	Probable ClpP-like protease	0.0094	0.3642	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0011	0.0405	0.0861
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0003	0.01	0.0122
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0001	0.0003	0.0048
Brugia malayi	hypothetical protein	0.0006	0.0189	0.0518
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Loa Loa (eye worm)	phosphatidylinositol 3	0.0003	0.01	0.0265
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0003	0.01	0.0122
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Loa Loa (eye worm)	phosphatidylinositol 3	0.0003	0.01	0.0265
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Brugia malayi	Tnks protein	0.0065	0.2478	0.6805
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0405	0.609
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0009	0.0326	0.0407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	1
Schistosoma mansoni	hypothetical protein	0.0006	0.0189	0.0234
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0664	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.3642	1
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0009	0.0326	0.0326
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0006	0.0189	0.0518
Echinococcus multilocularis		0.0003	0.01	0.01
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Entamoeba histolytica	zinc finger protein, putative	0.0009	0.0326	0.4003
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	0.5
Schistosoma mansoni	hypothetical protein	0.0008	0.027	0.0337
Echinococcus multilocularis	liprin alpha 2	0.0006	0.0189	0.0189
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.001	0.036	0.4601
Echinococcus multilocularis	Ankyrin	0.0001	0.0004	0.0004
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0003	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.002	0.0306
Entamoeba histolytica	hypothetical protein	0.0009	0.0326	0.4003
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0033	0.1232	0.3196
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0664	0.0834
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0003	0.01	0.1503
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0003	0.01	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0003	0.01	0.0278
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0664	0.1824
Entamoeba histolytica	hypothetical protein	0.001	0.036	0.4601
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.001	0.036	0.036
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0003	0.01	0.0265
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.0003	0.0048
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0003	0.01	0.1462
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Echinococcus granulosus	geminin	0.0205	0.7932	0.7932
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0018	0.0664	0.1834
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0664	0.0664
Echinococcus granulosus	Sterile alpha motif SAM	0.0006	0.0189	0.0189
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0003	0.01	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0189	0.0509
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0664	0.1824
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.001	0.036	0.1027
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0003	0.01	0.0122
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0008	0.027	0.027
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0003	0.01	0.0278
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0003	0.01	0.1503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0003	0.01	0.1503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0003	0.01	0.1462
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0664	1
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0003	0.01	0.0278
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0664	0.1905
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0664	1
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0006	0.0189	0.0189
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0003	0.01	0.01
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0009	0.0326	0.0638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0011	0.0405	0.6071
Leishmania major	phosphatidylinositol kinase, putative	0.0003	0.01	0.0268
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0664	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0003	0.01	0.0265
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0009	0.0326	0.4003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Toxoplasma gondii	hypothetical protein	0.0033	0.1232	0.3196
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0018	0.0664	0.1834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Trichomonas vaginalis	ion channel nompc, putative	0.0001	0.0003	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0189	0.0509
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0003	0.01	0.1462
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0003	0.01	0.1462
Schistosoma mansoni	hypothetical protein	0.0006	0.0189	0.0234
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.001	0.036	0.036
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0003	0.01	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0003	0.01	0.0265
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.2375	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Schistosoma mansoni	hypothetical protein	0.0006	0.0189	0.0234
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.3642	0.3642
Plasmodium falciparum	tyrosine kinase-like protein	0.0006	0.0189	0.0251
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0664	0.1816
Loa Loa (eye worm)	hypothetical protein	0.0003	0.01	0.0265
Loa Loa (eye worm)	tnks protein	0.0059	0.2269	0.6227
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0006	0.0189	0.0251
Onchocerca volvulus	Tankyrase homolog	0.0058	0.2231	1
Echinococcus granulosus	SAM domain containing protein	0.0006	0.0189	0.0189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0003	0.01	0.01
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0003	0.0048
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0018	0.0664	0.1834
Echinococcus granulosus	serine protein kinase ATM	0.001	0.036	0.036
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0189	0.284
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0189	0.284
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0003	0.01	0.0268
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	0.5
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0003	0.01	0.0274
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0003	0.01	0.1462
Echinococcus granulosus	liprin alpha 2	0.0006	0.0189	0.0189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0003	0.01	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0003	0.01	0.0268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	0.5
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0003	0.01	0.1503
Schistosoma mansoni	sarm1	0.0006	0.0189	0.0234
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.2375	0.2375
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.2375	1
Echinococcus multilocularis	SAM domain containing protein	0.0006	0.0189	0.0189
Entamoeba histolytica	hypothetical protein	0.0009	0.0326	0.4003
Entamoeba histolytica	hypothetical protein	0.0009	0.0326	0.4003
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Brugia malayi	Neurabin protein 1	0.0006	0.0189	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0008	0.027	0.0733
Echinococcus multilocularis	tankyrase	0.0065	0.2489	0.2489
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0225	0.3388
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0003	0.01	0.0278
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0003	0.01	0.0268
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0004	0.0053
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0003	0.01	0.0122
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.001	0.036	0.0987
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0003	0.01	0.0268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.027	0.4066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0003	0.01	0.1503
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0664	0.1905
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0001	0.002	0.0301
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0664	0.0834
Plasmodium falciparum	protein kinase, putative	0.0006	0.0189	0.0251
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0664	0.1594
Trichomonas vaginalis	ankyrin, putative	0.0001	0.0004	0.0053
Leishmania major	hypothetical protein, unknown function	0.0003	0.01	0.0268
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0006	0.0189	0.0251
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0001	0.0003	0.0048
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0664	1
Echinococcus granulosus	tankyrase	0.0065	0.2489	0.2489
Echinococcus granulosus	liprin beta 1	0.0006	0.0189	0.0189
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0664	0.1905
Schistosoma mansoni	fkbp-rapamycin associated protein	0.001	0.036	0.045
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0003	0.01	0.0274
Echinococcus multilocularis	serine protein kinase ATM	0.001	0.036	0.036
Loa Loa (eye worm)	phosphatidylinositol 3	0.0003	0.01	0.0265
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0018	0.0664	0.1834
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.2375	0.2375
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0009	0.0326	0.0326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.001	0.036	0.5412
Brugia malayi	FAT domain containing protein	0.0008	0.027	0.0742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0189	0.0509
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0009	0.0326	0.0326
Schistosoma mansoni	hypothetical protein	0.0205	0.7932	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0007	0.0225	0.0639
Brugia malayi	WGR domain containing protein	0.0009	0.0326	0.0895
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0664	0.0664
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0003	0.01	0.1503
Echinococcus granulosus	stromal interaction molecule 1	0.0006	0.0189	0.0189
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0003	0.01	0.1503
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0664	0.0664
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0009	0.0326	0.0886
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0664	0.1816
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0003	0.01	0.1503
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.3475	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0326	0.0886
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0003	0.01	0.01
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.001	0.036	0.0987
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0003	0.01	0.0278
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0003	0.01	0.01
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.001	0.036	0.1027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	0.5
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0003	0.01	0.1503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0003	0.01	0.1503
Schistosoma mansoni	hypothetical protein	0.0205	0.7932	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0189	0.284
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0009	0.0326	0.0407
Entamoeba histolytica	hypothetical protein	0.0009	0.0326	0.4003
Echinococcus multilocularis	liprin beta 1	0.0006	0.0189	0.0189
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0003	0.01	0.01
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0003	0.01	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1874	0.5142
Echinococcus granulosus	Ankyrin	0.0001	0.0003	0.0003
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0003	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0008	0.027	0.027
Schistosoma mansoni	tankyrase	0.0065	0.2493	0.314
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0326	0.4904
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0003	0.01	0.1503
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0003	0.01	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.001	0.036	0.539
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0003	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0001	0.0003	0.0048
Toxoplasma gondii	FATC domain-containing protein	0.001	0.036	0.0733
Echinococcus multilocularis	Zinc finger, PHD finger	0.0003	0.01	0.01
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0006	0.0189	0.0234
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0258	1	1
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0001	0.0003	0.0048
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0003	0.01	0.1503
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0033	0.1232	0.3196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0664	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0003	0.01	0.0265
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.3642	1
Brugia malayi	WGR domain containing protein	0.0009	0.0326	0.0895
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0009	0.0326	0.0929
Schistosoma mansoni	hypothetical protein	0.0003	0.01	0.0122
Brugia malayi	coiled-coil like protein 1	0.0006	0.0189	0.0518
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0003	0.01	0.0122
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12C, putative	0.0001	0.0003	0.0048
Giardia lamblia	Hypothetical protein	0.0003	0.01	0.1462
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0009	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3642	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0189	0.0509
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0664	0.1905
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.3642	1
Echinococcus multilocularis	stromal interaction molecule 1	0.0006	0.0189	0.0189
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0664	0.0664
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0006	0.0189	0.0234
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0003	0.01	0.1503
Entamoeba histolytica	protein kinase rad3, putative	0.001	0.036	0.4601
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0003	0.01	0.01
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0009	0.0326	0.0929

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.6535 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.581 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1702260

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1500788