TDR Targets

Basic information

Technical information

TDR Targets ID: 1266735
Name: 2-(azepan-1-yl)-N-(3-methoxypropyl)-5-oxo-[1, 3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamid e
MW: 365.451 | Formula: C16H23N5O3S
H donors: 1 H acceptors: 2 LogP: 1.69 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)c1cnc2n(c1=O)nc(s2)N1CCCCCC1
InChi: 1S/C16H23N5O3S/c1-24-10-6-7-17-13(22)12-11-18-15-21(14(12)23)19-16(25-15)20-8-4-2-3-5-9-20/h11H,2-10H2,1H3,(H,17,22)
InChiKey: MNOSPUBRGVIMPH-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

2-(1-azepanyl)-N-(3-methoxypropyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-5-keto-N-(3-methoxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
G205-1168
NCGC00129252-01

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	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 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
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	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 yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	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 leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	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
Theileria parva	ATP-dependent Clp protease proteolytic subunit, 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
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	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
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	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
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	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 1 ClpP1 (endopeptidase CLP)	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 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
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	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
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	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
Mycobacterium ulcerans	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
Echinococcus granulosus	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
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 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
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 falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	nuclear hormone receptor	0.0008	0.0022	0.0013
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0008	0.0022	0.0062
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0008	0.0022	0.0036
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.1873	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0365	0.191
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1873	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Plasmodium falciparum	glycogen synthase kinase 3	0.0052	0.0968	0.5146
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0018	0.0253	0.0676
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0365	0.3042
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Schistosoma mansoni	cell adhesion molecule	0.0013	0.0136	0.0393
Echinococcus multilocularis	roundabout 2	0.0015	0.0189	0.0498
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0018	0.0253	0.0676
Brugia malayi	photoreceptor-specific nuclear receptor	0.0008	0.0022	0.0013
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.118	1
Schistosoma mansoni	serine/threonine protein kinase	0.0154	0.315	0.9118
Echinococcus granulosus	roundabout 2	0.0015	0.0189	0.0498
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0365	0.3108
Brugia malayi	Steroid receptor seven-up type 2	0.0008	0.0022	0.0013
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0061	0.1155	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0008	0.0022	0.0013
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0016	0.0209	0.0553
Loa Loa (eye worm)	AUR protein kinase	0.0061	0.1155	0.1147
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	0.5
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0968	0.096
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.001	0.0068	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1873	0.1866
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0237	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0189	0.0181
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0008	0.0022	0.0062
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0008	0.0022	0.0036
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0365	0.191
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0158	0.3237	0.3232
Onchocerca volvulus		0.0152	0.3105	0.8986
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0052	0.0968	0.8371
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0365	0.3108
Schistosoma mansoni	hypothetical protein	0.0016	0.0209	0.0604
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0008	0.0022	0.0062
Schistosoma mansoni	jun-related protein	0.0068	0.1312	0.3798
Onchocerca volvulus		0.0052	0.0968	0.2784
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.1873	0.5147
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.0177	0.3631	1
Trichomonas vaginalis	STE family protein kinase	0.0018	0.0253	0.2137
Echinococcus granulosus	ecdysone induced protein 78C	0.0008	0.0022	0.0036
Brugia malayi	serine/threonine-protein kinase PAK 7	0.0193	0.398	0.3975
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0365	0.191
Schistosoma mansoni	protein kinase	0.0018	0.0253	0.0733
Brugia malayi	intracellular kinase	0.0052	0.0968	0.096
Entamoeba histolytica	hypothetical protein	0.0016	0.0209	0.1747
Trichomonas vaginalis	AGC family protein kinase	0.0061	0.1155	1
Schistosoma mansoni	protein kinase	0.0016	0.0209	0.0604
Schistosoma mansoni	hypothetical protein	0.0068	0.1312	0.3798
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0052	0.0968	0.096
Schistosoma mansoni	RAR-like nuclear receptor	0.0008	0.0022	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0237	0.0229
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0008	0.0022	0.0036
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0217	0.1777
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0237	0.1227
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Trypanosoma brucei	protein kinase, putative	0.0052	0.0968	0.8371
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0365	0.3108
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Entamoeba histolytica	hypothetical protein	0.0016	0.0209	0.1747
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0013	0.0136	0.0352
Schistosoma mansoni	hypothetical protein	0.0016	0.0209	0.0604
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0365	0.3042
Echinococcus multilocularis	PAK box P21 Rho binding	0.0018	0.0253	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.02
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0237	0.1227
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0008	0.0022	0.0036
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0365	0.0357
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0365	0.191
Trypanosoma cruzi	aurora B kinase, putative	0.0061	0.1155	1
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0169	0.3454	0.9512
Trichomonas vaginalis	STE family protein kinase	0.0018	0.0253	0.2137
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0016	0.0209	0.0553
Echinococcus granulosus	defective proboscis extension response	0.001	0.0068	0.0165
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0008	0.0022	0.0013
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0018	0.0253	0.0676
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.1873	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.118	0.3233
Onchocerca volvulus		0.0024	0.0365	0.1034
Echinococcus granulosus	jun protein	0.0084	0.1647	0.4522
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0365	0.191
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0008	0.0022	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0008	0.0022	0.0013
Brugia malayi	Probable ClpP-like protease	0.0094	0.1873	0.1866
Echinococcus granulosus	protein kinase shaggy	0.0052	0.0968	0.2649
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0169	0.3454	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.001	0.0068	0.0197
Echinococcus granulosus	aurora kinase A	0.0061	0.1155	0.3164
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0968	0.8371
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0237	0.0229
Entamoeba histolytica	protein kinase, putative	0.0018	0.0253	0.2137
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0008	0.0026	0.0017
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0968	0.8371
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0018	0.0253	0.0676
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.0177	0.3631	1
Echinococcus granulosus	neuroglian	0.0012	0.0121	0.0311
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0008	0.0022	0.0036
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0008	0.0022	0.0062
Brugia malayi	hypothetical protein	0.0066	0.1263	0.1256
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0008	0.0022	0.0036
Entamoeba histolytica	protein kinase, putative	0.0018	0.0253	0.2137
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0084	0.1647	0.4522
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0033	0.0554	0.2925
Schistosoma mansoni	nephrin	0.0012	0.0121	0.0351
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0365	0.3108
Trichomonas vaginalis	AGC family protein kinase	0.0061	0.1155	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0008	0.0022	0.0036
Echinococcus multilocularis	Immunoglobulin	0.001	0.0068	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0008	0.0022	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0136	0.0128
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0008	0.0022	0.0013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0365	0.191
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0008	0.0024
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0365	0.191
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0061	0.1155	0.6147
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0008	0.0022	0.0013
Brugia malayi	Nuclear hormone receptor-like 1	0.0008	0.0022	0.0013
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0968	0.8371
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0008	0.0022	0.0013
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0061	0.1155	0.3164
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0008	0.0022	0.0062
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0016	0.0209	0.0604
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0008	0.0022	0.0013
Echinococcus granulosus	Immunoglobulin	0.001	0.0068	0.0165
Entamoeba histolytica	protein kinase, putative	0.0052	0.0968	0.8371
Brugia malayi	hypothetical protein	0.001	0.0068	0.006
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.118	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0008	0.0022	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0189	0.0181
Echinococcus multilocularis	jun protein	0.0084	0.1647	0.4522
Brugia malayi	bZIP transcription factor family protein	0.0084	0.1647	0.164
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1598	0.1591
Entamoeba histolytica	protein kinase , putative	0.0061	0.1155	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0052	0.0968	0.2802
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.0968	0.7928
Toxoplasma gondii	aurora kinase	0.0061	0.1155	0.6147
Loa Loa (eye worm)	steroid hormone receptor	0.0008	0.0022	0.0013
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.1155	0.3342
Brugia malayi	Fibronectin type III domain containing protein	0.001	0.0068	0.006
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0237	0.0229
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0217	0.1777
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0052	0.0968	0.2649
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0008	0.0022	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0008	0.0022	0.0013
Brugia malayi	ecdysteroid receptor	0.0008	0.0022	0.0013
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0008	0.0022	0.0062
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0365	0.191
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0357
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0008	0.0022	0.0013
Schistosoma mansoni	hypothetical protein	0.0016	0.0209	0.0604
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0365	0.3108
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0084	0.1647	0.4522
Echinococcus multilocularis	neuroglian	0.0012	0.0121	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0061	0.1155	1
Toxoplasma gondii	hypothetical protein	0.0033	0.0554	0.2925
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0158	0.3237	0.3232
Trichomonas vaginalis	AGC family protein kinase	0.0061	0.1155	1
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.0193	0.398	0.3975
Trypanosoma brucei	aurora B kinase	0.0061	0.1155	1
Giardia lamblia	Kinase, CMGC GSK	0.0052	0.0968	0.7928
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0476	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0008	0.0022	0.0036
Brugia malayi	WH1 domain containing protein	0.0016	0.0209	0.02
Echinococcus multilocularis	PAK box P21 Rho binding	0.0016	0.0209	0.0553
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0008	0.0022	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0237	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0237	0.0229
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0008	0.0022	0.0013
Schistosoma mansoni	nuclear hormone receptor	0.0008	0.0022	0.0062
Schistosoma mansoni	coup transcription factor	0.0008	0.0022	0.0062
Entamoeba histolytica	protein kinase, putative	0.0018	0.0253	0.2137
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0237	0.1227
Onchocerca volvulus		0.0154	0.315	0.9116
Echinococcus granulosus	twitchin	0.0014	0.0166	0.0435
Entamoeba histolytica	p21-activated kinase	0.0018	0.0253	0.2137
Trichomonas vaginalis	STE family protein kinase	0.0018	0.0253	0.2137
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0365	0.191
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.0068	0.006
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.1873	0.5422
Onchocerca volvulus		0.0008	0.0022	0.0038
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0061	0.1155	1
Echinococcus multilocularis	aurora kinase A	0.0061	0.1155	0.3164
Schistosoma mansoni	thyroid hormone receptor	0.0008	0.0022	0.0062
Echinococcus multilocularis	Immunoglobulin	0.001	0.0068	0.0165
Leishmania major	protein kinase, putative	0.0061	0.1155	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0148	0.3015	0.8724
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0169	0.3454	0.3449
Echinococcus multilocularis	protein kinase shaggy	0.0052	0.0968	0.2649
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0228	0.0659
Echinococcus granulosus	FTZ F1 alpha	0.0008	0.0022	0.0036
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.118	0.3233
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0016	0.0209	0.0553
Trichomonas vaginalis	AGC family protein kinase	0.0061	0.1155	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Echinococcus multilocularis	ecdysone induced protein 78C	0.0008	0.0022	0.0036
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0365	0.191
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0033	0.0554	0.2925
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0008	0.0022	0.0013
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0033	0.0554	0.2925
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0209	0.1747
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0008	0.0022	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0008	0.0022	0.0013
Loa Loa (eye worm)	AUR protein kinase	0.0061	0.1155	0.1147
Schistosoma mansoni	vesicular amine transporter	0.001	0.0068	0.0197
Giardia lamblia	Aurora kinase	0.0061	0.1155	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0365	0.0357
Schistosoma mansoni	protein kinase	0.0018	0.0253	0.0733
Echinococcus granulosus	rho-associated protein kinase 1	0.0154	0.315	0.8671
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0008	0.0022	0.0013
Schistosoma mansoni	protein kinase	0.0018	0.0253	0.0733
Schistosoma mansoni	retinoic acid receptor RXR	0.0008	0.0022	0.0062
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0365	0.0357
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0052	0.0968	0.5146
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Onchocerca volvulus		0.0066	0.1263	0.3641
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0217	0.1777
Brugia malayi	nuclear receptor NHR-88	0.0008	0.0022	0.0013
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0008	0.0022	0.0013
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0061	0.1155	0.6147
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0052	0.0968	0.2649
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0061	0.1155	0.3164
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0008	0.0022	0.0013
Brugia malayi	Protein kinase domain containing protein	0.0169	0.3454	0.3449
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1873	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0022	0.0013
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1873	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0008	0.0022	0.0013
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0016	0.0209	0.02
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0169	0.3454	0.3449
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0018	0.0253	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0365	0.0357
Entamoeba histolytica	protein kinase, putative	0.0061	0.1155	1
Onchocerca volvulus		0.0145	0.2943	0.8516
Entamoeba histolytica	protein kinase, putative	0.0061	0.1155	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0008	0.0022	0.0036
Entamoeba histolytica	protein kinase, putative	0.0018	0.0253	0.2137
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0365	0.3108
Onchocerca volvulus	Protein ultraspiracle homolog	0.0008	0.0022	0.0038
Brugia malayi	steroid hormone receptor	0.0008	0.0022	0.0013
Schistosoma mansoni	tyrosine kinase	0.0017	0.0228	0.0659
Echinococcus granulosus	PAK box P21 Rho binding	0.0016	0.0209	0.0553
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0008	0.0022	0.0036
Schistosoma mansoni	serine/threonine protein kinase	0.0169	0.3454	1
Brugia malayi	P21-Rho-binding domain containing protein	0.0016	0.0209	0.02
Schistosoma mansoni	protein kinase	0.0061	0.1155	0.3342
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0008	0.0022	0.0038
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0018	0.0253	0.0676
Schistosoma mansoni	thyroid hormone receptor	0.0008	0.0022	0.0062
Entamoeba histolytica	protein kinase domain containing protein	0.0052	0.0968	0.8371
Trichomonas vaginalis	STE family protein kinase	0.0018	0.0253	0.2137
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0169	0.3454	0.3449
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.118	0.6281
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0217	0.1777
Entamoeba histolytica	protein kinase domain containing protein	0.0061	0.1155	1
Echinococcus multilocularis	FTZ F1 alpha	0.0008	0.0022	0.0036
Brugia malayi	serine/threonine kinase 12	0.0061	0.1155	0.1147
Brugia malayi	P21-Rho-binding domain containing protein	0.0016	0.0209	0.02
Onchocerca volvulus	Bile acid receptor homolog	0.0008	0.0022	0.0038
Loa Loa (eye worm)	hypothetical protein	0.001	0.0068	0.006
Echinococcus multilocularis	rho associated protein kinase	0.0154	0.315	0.8671
Loa Loa (eye worm)	AUR protein kinase	0.0061	0.1155	0.1147
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0008	0.0022	0.0013
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0008	0.0022	0.0036
Trichomonas vaginalis	STE family protein kinase	0.0018	0.0253	0.2137
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0052	0.0968	0.5146
Brugia malayi	serine/threonine-protein kinase 6	0.0061	0.1155	0.1147
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0008	0.0022	0.0062
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0169	0.3454	0.9512
Brugia malayi	serine/threonine protein kinase 6	0.0061	0.1155	0.1147
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0052	0.0968	0.8371
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.001	0.0068	0.0165
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.1873	0.5147
Brugia malayi	Protein kinase domain	0.0018	0.0253	0.0245

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)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	= 35.4813 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1372405

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1266735