TDR Targets

Basic information

Technical information

TDR Targets ID: 1339430
Name: 1-(4-fluorophenyl)-3-(methyl-(pyridin-4-ylmet hyl)amino)pyrrolidine-2,5-dione
MW: 313.326 | Formula: C17H16FN3O2
H donors: 0 H acceptors: 3 LogP: 1.4 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccncc1
InChi: 1S/C17H16FN3O2/c1-20(11-12-6-8-19-9-7-12)15-10-16(22)21(17(15)23)14-4-2-13(18)3-5-14/h2-9,15H,10-11H2,1H3
InChiKey: UPYQDZGHOGZBNP-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

1-(4-fluorophenyl)-3-(methyl-(4-pyridylmethyl)amino)pyrrolidine-2,5-dione
1-(4-fluorophenyl)-3-(methyl-(4-pyridylmethyl)amino)pyrrolidine-2,5-quinone
1-(4-fluorophenyl)-3-[methyl(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione
MLS000677555
SMR000271720
Pyrrolidine-2,5-dione, 1-(4-fluorophenyl)-3-(methylpyridin-4-ylmethylamino)-
A2880/0121382

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	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
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	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
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	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
Candida albicans	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
Schistosoma mansoni	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
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
Candida albicans	Mitochondrial aldehyde dehydrogenase	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
Candida albicans	aldehyde dehydrogenase	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
Neospora caninum	hypothetical protein	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
Mycobacterium ulcerans	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
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	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 %
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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	pyruvate kinase	0.0037	0.0126	0.026
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0244	0.061
Echinococcus granulosus	Niemann Pick C1 protein	0.0303	0.1663	0.3727
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0077	0.0356	1
Schistosoma mansoni	hypothetical protein	0.0088	0.0419	0.0922
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0126	0.0115
Schistosoma mansoni	pyruvate kinase	0.0072	0.0328	0.0716
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0077	0.0356	1
Trichomonas vaginalis	conserved hypothetical protein	0.0091	0.0438	0.2453
Toxoplasma gondii	pyruvate kinase PyK1	0.0072	0.0328	0.9729
Onchocerca volvulus	Pyruvate kinase homolog	0.0072	0.0328	0.0721
Schistosoma mansoni	pyruvate kinase	0.0037	0.0126	0.026
Brugia malayi	CHE-14 protein	0.0091	0.0438	0.1097
Schistosoma mansoni	hypothetical protein	0.0205	0.1093	0.2441
Giardia lamblia	Pyruvate kinase	0.0072	0.0328	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0077	0.0356	1
Entamoeba histolytica	pyruvate kinase, putative	0.005	0.0202	0.1455
Loa Loa (eye worm)	hypothetical protein	0.0406	0.2253	0.5639
Schistosoma mansoni	acetyl-CoA synthetase	0.0023	0.0043	0.0073
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0335	0.9355
Brugia malayi	Niemann-Pick C1 protein precursor	0.0212	0.1137	0.2847
Onchocerca volvulus		0.0708	0.3995	1
Leishmania major	pyruvate kinase	0.0072	0.0328	0.9102
Echinococcus granulosus	Niemann Pick C1 protein	0.0212	0.1137	0.2542
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0124	0.0309
Echinococcus granulosus	pyruvate kinase	0.0072	0.0328	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0492	0.2752	0.6887
Onchocerca volvulus		0.0077	0.0356	0.0792
Loa Loa (eye worm)	oxidoreductase	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.0043	0.0546
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0077	0.0356	0.2859
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0708	0.3995	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0091	0.0438	0.0965
Schistosoma mansoni	hypothetical protein	0.0205	0.1093	0.2441
Echinococcus multilocularis	Niemann Pick C1 protein	0.0212	0.1137	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0023	0.0043	0.0546
Trypanosoma brucei	pyruvate kinase 1, putative	0.0072	0.0328	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.2253	0.5639
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.036	0.0789
Loa Loa (eye worm)	pyruvate kinase	0.0072	0.0328	0.082
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0077	0.0356	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0072	0.0328	0.1767
Schistosoma mansoni	hypothetical protein	0.0088	0.0419	0.0922
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0023	0.0043	0.0546
Trichomonas vaginalis	conserved hypothetical protein	0.0302	0.1655	1
Entamoeba histolytica	hypothetical protein	0.0078	0.036	0.29
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.0356	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.0356	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0221	0.0554
Trypanosoma brucei	pyruvate kinase 1	0.0072	0.0328	1
Onchocerca volvulus		0.0708	0.3995	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0072	0.0328	0.9102
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0077	0.0356	1
Echinococcus multilocularis	pyruvate kinase	0.0057	0.024	0.023
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0335	0.0734
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0335	0.9355
Plasmodium vivax	pyruvate kinase 2, putative	0.0037	0.0126	0.291
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0043	0.0546
Echinococcus granulosus	geminin	0.0205	0.1093	0.2441
Loa Loa (eye worm)	hypothetical protein	0.0017	0.001	0.0026
Entamoeba histolytica	hypothetical protein	0.0078	0.036	0.29
Plasmodium vivax	pyruvate kinase, putative	0.0072	0.0328	1
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0406	0.2253	0.5639
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0221	0.0554
Entamoeba histolytica	hypothetical protein	0.0078	0.036	0.29
Chlamydia trachomatis	pyruvate kinase	0.0072	0.0328	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0072	0.0328	0.082
Echinococcus multilocularis	Niemann Pick C1 protein	0.0303	0.1663	0.1654
Loa Loa (eye worm)	pyruvate kinase	0.0072	0.0328	0.082
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.0356	0.089
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0335	0.9355
Brugia malayi	hypothetical protein	0.0078	0.036	0.0901
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0226	0.6071
Entamoeba histolytica	acyl-coA synthetase, putative	0.0077	0.0356	0.2859
Brugia malayi	hypothetical protein	0.0302	0.1655	0.4142
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0043	0.0546
Onchocerca volvulus		0.0708	0.3995	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0072	0.0328	0.0721
Schistosoma mansoni	hypothetical protein	0.0037	0.0124	0.0256
Onchocerca volvulus		0.0708	0.3995	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0356	0.089
Loa Loa (eye worm)	hypothetical protein	0.0406	0.2253	0.5639
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0356	0.089
Mycobacterium ulcerans	pyruvate kinase	0.0072	0.0328	0.9102
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0335	0.0326
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0406	0.2253	0.5639
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0023	0.0043	0.0107
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.0697	0.1743
Echinococcus granulosus	pyruvate kinase	0.0037	0.0126	0.026
Schistosoma mansoni	hypothetical protein	0.0078	0.036	0.0789
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0043	0.0546
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0077	0.0356	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0077	0.0356	1
Loa Loa (eye worm)	hypothetical protein	0.0708	0.3995	1
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0126	0.0115
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.0356	1
Echinococcus granulosus	pyruvate kinase	0.0072	0.0328	0.0716
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0023	0.0043	0.0546
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0126	0.0115
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0124	0.0309
Schistosoma mansoni	pyruvate kinase	0.0072	0.0328	0.0716
Echinococcus multilocularis	geminin	0.0205	0.1093	0.1084
Schistosoma mansoni	hypothetical protein	0.0088	0.0419	0.0922
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0023	0.0043	0.0546
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.0356	0.089
Echinococcus multilocularis	protein dispatched 1	0.0104	0.0512	0.0503
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0708	0.3995	1
Brugia malayi	hypothetical protein	0.0406	0.2253	0.5639
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1655	0.4142
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0077	0.0356	0.2859
Schistosoma mansoni	microtubule-associated protein tau	0.0786	0.4444	1
Onchocerca volvulus		0.0406	0.2253	0.5592
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0077	0.0356	1
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0406	0.2253	0.5639
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1655	0.4142
Brugia malayi	MH2 domain containing protein	0.0136	0.0697	0.1743
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0057	0.0244	0.6617
Loa Loa (eye worm)	hypothetical protein	0.005	0.0202	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0406	0.2253	0.5639
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.0356	1
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0023	0.0043	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0244	0.061
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0335	0.0734
Onchocerca volvulus		0.0708	0.3995	1
Echinococcus granulosus	microtubule associated protein 2	0.0786	0.4444	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0556	0.1393
Onchocerca volvulus		0.0708	0.3995	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0226	0.6071
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0708	0.3995	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0221	0.0554
Leishmania major	pyruvate kinase	0.0072	0.0328	0.9102
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0335	1
Onchocerca volvulus		0.0708	0.3995	1
Brugia malayi	AMP-binding enzyme family protein	0.0077	0.0356	0.089
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0356	0.089
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0023	0.0043	0.0073
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0023	0.0043	0.0546
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0212	0.1137	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.001	0.0026
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0221	0.0554
Plasmodium vivax	acyl-CoA synthetase, putative	0.0057	0.0244	0.7055
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0406	0.2253	0.5639
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Loa Loa (eye worm)	pyruvate kinase-PB	0.005	0.0202	0.0506
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0335	0.9391
Plasmodium falciparum	pyruvate kinase	0.0072	0.0328	1
Toxoplasma gondii	pyruvate kinase PyKII	0.0037	0.0126	0.2831
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.001	0.0026
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0023	0.0043	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1137	0.2847
Entamoeba histolytica	hypothetical protein	0.0078	0.036	0.29
Echinococcus multilocularis	pyruvate kinase	0.0072	0.0328	0.0318
Mycobacterium ulcerans	hypothetical protein	0.0077	0.0356	1
Plasmodium falciparum	acyl-CoA synthetase	0.0057	0.0244	0.7055
Loa Loa (eye worm)	hypothetical protein	0.0492	0.2752	0.6887
Brugia malayi	Muscleblind-like protein	0.0492	0.2752	0.6887
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0226	0.6071
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0072	0.0328	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Onchocerca volvulus		0.0708	0.3995	1
Onchocerca volvulus		0.0406	0.2253	0.5592
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0216	0.1156	0.2585
Echinococcus multilocularis	protein patched	0.0091	0.0438	0.0428
Brugia malayi	hypothetical protein	0.0406	0.2253	0.5639
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1655	0.4142
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0226	0.6071
Echinococcus granulosus	muscleblind protein	0.0492	0.2752	0.6183
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0057	0.0244	0.6421
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0091	0.0438	0.1097
Onchocerca volvulus		0.0302	0.1655	0.4079
Schistosoma mansoni	patched 1	0.0091	0.0438	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0328	0.082
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.001	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1655	0.4142
Echinococcus multilocularis	muscleblind protein 1	0.0492	0.2752	0.2744
Echinococcus multilocularis	muscleblind protein	0.0492	0.2752	0.2744
Echinococcus multilocularis	expressed conserved protein	0.0199	0.1063	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0244	0.061
Echinococcus multilocularis	microtubule associated protein 2	0.0786	0.4444	0.4439
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0244	0.061
Trichomonas vaginalis	pyruvate kinase, putative	0.0072	0.0328	0.1767
Plasmodium falciparum	pyruvate kinase 2	0.0037	0.0126	0.291
Echinococcus multilocularis	pyruvate kinase	0.0072	0.0328	0.0318
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0072	0.0328	1
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.0708	0.3995	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.0697	0.1743
Echinococcus multilocularis	sterol regulatory element binding protein	0.0091	0.0438	0.0428
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0022	0.0038	0.0095
Echinococcus granulosus	expressed conserved protein	0.0199	0.1063	0.2374
Onchocerca volvulus	Pyruvate kinase homolog	0.0072	0.0328	0.0721
Echinococcus granulosus	Protein patched homolog 1	0.0091	0.0438	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0072	0.0328	0.9151
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.036	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0438	0.1097
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0072	0.0328	0.082
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0244	0.061
Loa Loa (eye worm)	hypothetical protein	0.0406	0.2253	0.5639
Leishmania major	4-coumarate:coa ligase-like protein	0.0077	0.0356	1
Loa Loa (eye worm)	pyruvate kinase	0.0072	0.0328	0.082
Echinococcus granulosus	pyruvate kinase	0.0037	0.0126	0.026
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0335	0.9355
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0406	0.2253	0.5639
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.036	0.035
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0335	0.0734
Mycobacterium ulcerans	acyl-CoA synthetase	0.0077	0.0356	1
Schistosoma mansoni	hypothetical protein	0.0088	0.0419	0.0922
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0043	0.0107
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0043	0.0546
Brugia malayi	LBP/BPI	0.0302	0.1655	0.4142

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0291 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)	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)	= 17.7828 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)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1486476

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1339430