TDR Targets

Basic information

Technical information

TDR Targets ID: 622003
Name: N-(4-fluorophenyl)-2-[[3-(2-methoxyphenyl)-4- oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]su lfanyl]acetamide
MW: 443.514 | Formula: C21H18FN3O3S2
H donors: 1 H acceptors: 2 LogP: 3.7 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)F)nc2c(c1=O)SCC2
InChi: 1S/C21H18FN3O3S2/c1-28-17-5-3-2-4-16(17)25-20(27)19-15(10-11-29-19)24-21(25)30-12-18(26)23-14-8-6-13(22)7-9-14/h2-9H,10-12H2,1H3,(H,23,26)
InChiKey: IIINLHMPSKJVHW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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

Clustering layers

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

Synonyms

N-(4-fluorophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
N-(4-fluorophenyl)-2-[[4-keto-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
N-(4-fluorophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
SMR000015993
ZINC02719814
MLS000101281

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0102	0.0609	0.0609
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0357	0.2882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0702	0.2978
Loa Loa (eye worm)	phosphatidylinositol 3	0.0208	0.1534	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0099	0.0584	0.4512
Entamoeba histolytica	pyruvate kinase, putative	0.0048	0.0135	0.0532
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0096	0.0559	0.2369
Brugia malayi	FAT domain containing protein	0.0043	0.0093	0.0716
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0238	0.0402
Echinococcus multilocularis	protein dispatched 1	0.005	0.015	0.015
Loa Loa (eye worm)	phosphatidylinositol 3	0.0034	0.0016	0.0106
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0136	0.091	0.2585
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0238	0.1553
Plasmodium falciparum	pyruvate kinase	0.0069	0.0317	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0034	0.001	0.0018
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0136	0.091	0.3846
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0701	0.2976
Giardia lamblia	GTOR	0.0136	0.091	0.381
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0034	0.0016	0.0018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0096	0.0162
Trypanosoma brucei	pyruvate kinase 1, putative	0.0069	0.0317	0.3406
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0034	0.001	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0817	0.347
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0614	0.4002
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0603	0.3928
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0031	0.0117
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0096	0.0397
Schistosoma mansoni	transcription factor btf3	0.0036	0.0031	0.0052
Trichomonas vaginalis	esterase, putative	0.0043	0.0096	0.0395
Trichomonas vaginalis	pyruvate kinase, putative	0.0069	0.0317	0.1336
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2145	1
Echinococcus multilocularis	pyruvate kinase	0.0069	0.0317	0.0317
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0357	0.0357
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0069	0.0317	0.1077
Echinococcus granulosus	pyruvate kinase	0.0035	0.0024	0.0024
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0059	0.0232	0.0676
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0065	0.0288	0.3544
Loa Loa (eye worm)	hypothetical protein	0.018	0.1293	0.8433
Brugia malayi	Muscleblind-like protein	0.018	0.1293	1
Echinococcus granulosus	serine protein kinase ATM	0.0059	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0093	0.0604
Trypanosoma cruzi	hypothetical protein, conserved	0.0409	0.3292	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0817	0.347
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0102	0.0609	0.1721
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0057	0.0212	0.0888
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0096	0.0743
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0034	0.001	0.0068
Entamoeba histolytica	protein kinase rad3, putative	0.0059	0.0232	0.0949
Loa Loa (eye worm)	phosphatidylinositol 3	0.0102	0.0609	0.3971
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0043	0.0096	0.095
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0043	0.0093	0.0093
Leishmania major	hypothetical protein, conserved	0.0431	0.3488	1
Brugia malayi	CHE-14 protein	0.0044	0.0096	0.0745
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0102	0.0609	0.6658
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0069	0.0319	0.132
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0288	0.1878
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0126	0.0817	0.2321
Echinococcus multilocularis	Zinc finger, PHD finger	0.0034	0.001	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0817	0.347
Leishmania major	basic transcription factor 3a, putative	0.0036	0.0031	0.0058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.0232	0.0976
Entamoeba histolytica	hypothetical protein	0.0109	0.0666	0.2805
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0232	0.1515
Echinococcus granulosus	muscleblind protein	0.018	0.1293	0.1293
Echinococcus multilocularis	muscleblind protein	0.018	0.1293	0.1293
Echinococcus multilocularis	pyruvate kinase	0.0054	0.019	0.019
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0109	0.0672	0.2829
Echinococcus multilocularis	serine protein kinase ATM	0.0059	0.0232	0.0232
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0357	0.0602
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0096	0.0096
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0609	0.2583
Toxoplasma gondii	ABC1 family protein	0.0043	0.0096	0.1094
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0059	0.0232	0.0949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0702	0.2978
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.2348	1
Leishmania major	pyruvate kinase	0.0069	0.0317	0.0881
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.0725	0.3077
Schistosoma mansoni	pyruvate kinase	0.0069	0.0317	0.0534
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0034	0.001	0.0018
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0031	0.0062
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0057	0.0212	0.0613
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0232	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0092	0.052	0.3392
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2348	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0092	0.052	0.4022
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0057	0.0212	0.0357
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.1002	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0136	0.091	0.3846
Schistosoma mansoni	hypothetical protein	0.0042	0.0083	0.0139
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0096	0.0953
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0057	0.0212	0.0888
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0024	0.0024
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1176	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.0603	0.0603
Schistosoma mansoni	pyruvate kinase	0.0035	0.0024	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0037	0.0241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.091	0.3865
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0357	0.2882
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0096	0.0096
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0136	0.091	0.091
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0096	0.0559	0.2369
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0043	0.0093	0.0093
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0132	0.0867	0.6705
Mycobacterium ulcerans	pyruvate kinase	0.0069	0.0317	0.2436
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0132	0.0867	0.3684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0037	0.0143
Loa Loa (eye worm)	pyruvate kinase	0.0069	0.0317	0.2065
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0057	0.0212	0.0861
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0096	0.0261
Trypanosoma brucei	pyruvate kinase 1	0.0069	0.0317	0.3406
Loa Loa (eye worm)	hypothetical protein	0.018	0.1293	0.8433
Plasmodium vivax	pyruvate kinase 2, putative	0.0035	0.0024	0.0451
Loa Loa (eye worm)	hypothetical protein	0.007	0.033	0.215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.0232	0.0976
Echinococcus multilocularis	microtubule associated protein 2	0.0711	0.593	0.593
Schistosoma mansoni	hypothetical protein	0.0043	0.0093	0.0156
Echinococcus granulosus	neuropeptide receptor A26	0.0479	0.3902	0.3902
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0037	0.0143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0093	0.0533	0.2258
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0136	0.091	0.1534
Brugia malayi	beta-lactamase family protein	0.0043	0.0096	0.0743
Brugia malayi	beta-lactamase family protein	0.0043	0.0096	0.0743
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0096	0.0162
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.0603	0.2533
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0357	0.4426
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0136	0.091	0.091
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0037	0.0037	0.0081
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.091	0.3865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0089	0.0496	0.2101
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0132	0.0867	0.2611
Schistosoma mansoni	hypothetical protein	0.0042	0.0083	0.0139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0059	0.0232	0.2468
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0031	0.0117
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0073	0.0358	0.1434
Loa Loa (eye worm)	pyruvate kinase	0.0069	0.0317	0.2065
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0092	0.052	0.052
Schistosoma mansoni	microtubule-associated protein tau	0.0711	0.593	1
Schistosoma mansoni	pyruvate kinase	0.0069	0.0317	0.0534
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0069	0.0317	0.2436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Schistosoma mansoni	hypothetical protein	0.007	0.033	0.0556
Plasmodium falciparum	basic transcription factor 3b, putative	0.0036	0.0031	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0182	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0135	0.088
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0059	0.0232	0.0392
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0057	0.0212	0.2238
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0609	0.2583
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.0031	0.0201
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0102	0.0609	0.1721
Entamoeba histolytica	transcription factor BTF3, putative	0.0036	0.0031	0.0087
Echinococcus multilocularis	neuropeptide receptor A26	0.0479	0.3902	0.3902
Echinococcus granulosus	transcription factor btf3	0.0036	0.0031	0.0031
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0069	0.0317	0.0933
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0059	0.0232	0.0392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0059	0.0232	0.0976
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0288	0.1214
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0034	0.001	0.003
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0132	0.0867	0.3665
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0835	0.7018	0.7018
Entamoeba histolytica	hypothetical protein	0.0036	0.0031	0.0087
Echinococcus multilocularis	pyruvate kinase	0.0069	0.0317	0.0317
Loa Loa (eye worm)	hypothetical protein	0.004	0.0063	0.0411
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0417	0.1764
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0132	0.0867	0.3684
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.033	0.2549
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0096	0.0395
Leishmania major	pyruvate kinase	0.0069	0.0317	0.0881
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0136	0.091	0.2585
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Echinococcus granulosus	pyruvate kinase	0.0069	0.0317	0.0317
Echinococcus granulosus	pyruvate kinase	0.0035	0.0024	0.0024
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0024	0.0024
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0024	0.0024
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0132	0.0867	0.3684
Leishmania major	hypothetical protein, conserved	0.0043	0.0096	0.0246
Echinococcus granulosus	tumor protein p63	0.0408	0.3284	0.3284
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0076	0.0381	0.4116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0609	0.2583
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0357	0.0997
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2348	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0069	0.0317	0.0933
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0034	0.001	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0702	0.2978
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0136	0.091	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0417	0.1764
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0034	0.001	0.001
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1293	0.1293
Onchocerca volvulus	Pyruvate kinase homolog	0.0069	0.0317	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.091	0.3865
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.2348	0.5
Echinococcus multilocularis	protein patched	0.0044	0.0096	0.0096
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0096	0.0627
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.0614	0.4745
Toxoplasma gondii	pyruvate kinase PyK1	0.0069	0.0317	0.391
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Echinococcus multilocularis	tumor protein p63	0.0408	0.3284	0.3284
Echinococcus multilocularis	transcription factor btf3	0.0036	0.0031	0.0031
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0069	0.0317	0.2449
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0096	0.0395
Loa Loa (eye worm)	pyruvate kinase	0.0069	0.0317	0.2065
Echinococcus granulosus	expressed conserved protein	0.0095	0.0549	0.0549
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.0603	0.4658
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0034	0.001	0.0081
Loa Loa (eye worm)	pyruvate kinase-PB	0.0048	0.0135	0.088
Echinococcus granulosus	neuropeptide s receptor	0.0479	0.3902	0.3902
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0096	0.2797
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0702	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0096	0.0628
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0059	0.0232	0.1796
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0059	0.0232	0.0676
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0231	0.1735	0.1735
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0096	0.0261
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0034	0.001	0.001
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0059	0.0232	0.0232
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0231	0.1735	0.2925
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0701	0.2976
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0136	0.091	0.7032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0102	0.0609	0.4709
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0092	0.052	0.052
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0102	0.0609	0.1027
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0096	0.0395
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0096	0.0627
Toxoplasma gondii	FATC domain-containing protein	0.0059	0.0232	0.2833
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0096	0.0096
Giardia lamblia	Pyruvate kinase	0.0069	0.0317	0.1259
Plasmodium falciparum	pyruvate kinase 2	0.0035	0.0024	0.0451
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0609	0.2583
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.1002	0.442
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0109	0.0666	0.2805
Onchocerca volvulus	Pyruvate kinase homolog	0.0069	0.0317	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.0614	0.4002
Loa Loa (eye worm)	phosphatidylinositol 3	0.0136	0.091	0.593
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0057	0.0212	0.0861
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0102	0.0609	0.1824
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0102	0.0609	0.6658
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0096	0.0628
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0083	0.044	0.1863
Echinococcus multilocularis	Niemann Pick C1 protein	0.0145	0.0983	0.0983
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0069	0.0317	0.2449
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0096	0.0096
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0096	0.0395
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0123	0.0794	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0136	0.091	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0132	0.0867	0.2611
Schistosoma mansoni	hypothetical protein	0.0042	0.0083	0.0139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0817	0.347
Brugia malayi	beta-lactamase	0.0043	0.0096	0.0743
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0096	0.0395
Schistosoma mansoni	hypothetical protein	0.0042	0.0083	0.0139
Echinococcus multilocularis	expressed conserved protein	0.0095	0.0549	0.0549
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0057	0.0212	0.1636
Chlamydia trachomatis	pyruvate kinase	0.0069	0.0317	0.5
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0616	0.1039
Toxoplasma gondii	pyruvate kinase PyKII	0.0035	0.0024	0.0177
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.0031	0.0663
Plasmodium vivax	pyruvate kinase, putative	0.0069	0.0317	1
Onchocerca volvulus		0.006	0.0238	0.644
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0136	0.091	0.2739
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0115	0.0725	0.3077
Echinococcus granulosus	microtubule associated protein 2	0.0711	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0096	0.0627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0057	0.0212	0.0888
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0031	0.0117
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.0603	0.0603
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0093	0.038
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0102	0.0609	0.1824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0817	0.347
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.0614	0.4745
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0031	0.0062
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0045	0.0113	0.038
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.0031	0.0259
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0126	0.0817	0.8975
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.1002	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0417	0.1764
Echinococcus granulosus	pyruvate kinase	0.0035	0.0024	0.0024
Trypanosoma brucei	transcription factor BTF3, putative	0.0036	0.0031	0.0226
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0794	0.3371
Brugia malayi	beta-NAC-like protein	0.0036	0.0031	0.0238
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0609	0.2583
Echinococcus granulosus	pyruvate kinase	0.0069	0.0317	0.0317
Trichomonas vaginalis	pyruvate kinase, putative	0.0069	0.0317	0.1336
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Entamoeba histolytica	hypothetical protein	0.0059	0.0232	0.0949
Schistosoma mansoni	patched 1	0.0044	0.0096	0.0163
Onchocerca volvulus	Pyruvate kinase homolog	0.0069	0.0317	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0357	0.2882
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0357	0.1274
Echinococcus multilocularis	neuropeptide s receptor	0.0479	0.3902	0.3902
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0136	0.091	0.2739
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0357	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0317	0.2065
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0701	0.2976
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2348	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0059	0.0232	0.0232
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0231	0.1735	0.1735
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0102	0.0609	0.0609
Echinococcus granulosus	Niemann Pick C1 protein	0.0145	0.0983	0.0983
Trypanosoma cruzi	target of rapamycin kinase 3	0.0126	0.0817	0.2459
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0034	0.001	0.001

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	0.1413 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.7783 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
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	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

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: CHEMBL1348334
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 622003