TDR Targets

Basic information

Technical information

TDR Targets ID: 512783
Name: 2-(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl )-1,3-dioxoisoindole-5-carboxylic acid
MW: 323.321 | Formula: C14H13NO6S
H donors: 2 H acceptors: 6 LogP: 1.06 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CSCCC(N1C(=O)c2c(C1=O)cc(cc2)C(=O)O)C(=O)O
InChi: 1S/C14H13NO6S/c1-22-5-4-10(14(20)21)15-11(16)8-3-2-7(13(18)19)6-9(8)12(15)17/h2-3,6,10H,4-5H2,1H3,(H,18,19)(H,20,21)
InChiKey: CRBKJEFFAOMOCL-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

2-(1-carboxy-3-methylsulfanyl-propyl)-1,3-dioxo-isoindoline-5-carboxylic acid
2-[1-carboxy-3-(methylthio)propyl]-1,3-dioxo-5-isoindolinecarboxylic acid
2-(1-hydroxy-4-methylsulfanyl-1-oxo-butan-2-yl)-1,3-dioxo-isoindole-5-carboxylic acid
2-[1-carboxy-3-(methylthio)propyl]-1,3-diketo-isoindoline-5-carboxylic acid
MLS000113297
BAS 04383398
STOCK3S-84431
Oprea1_602310
SMR000109200

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	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 donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	360 aa	361 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0239	0.0513
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0022	0.0118	0.0351
Echinococcus multilocularis	Endonuclease G	0.0022	0.0118	0.0255
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0438	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0025	0.0054
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0025	0.0054
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0022	0.0118	0.0441
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0338	0.2686	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0098	0.0734	0.2322
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0025	0.0054
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0291	0.3971
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Toxoplasma gondii	cytochrome c, putative	0.0111	0.0841	0.3067
Schistosoma mansoni	gliotactin	0.0098	0.0734	0.1578
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0025	0.0054
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0224	0.0482
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0291	0.3971
Toxoplasma gondii	ABC1 family protein	0.0043	0.0291	0.1001
Entamoeba histolytica	hypothetical protein	0.0035	0.0224	1
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0025	0.0054
Echinococcus multilocularis	acetylcholinesterase	0.0579	0.4648	1
Onchocerca volvulus		0.008	0.0587	0.0587
Schistosoma mansoni	hypothetical protein	0.0205	0.1601	0.3446
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0098	0.0734	0.2322
Echinococcus multilocularis	neuroligin	0.0098	0.0734	0.1578
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0438	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Echinococcus multilocularis	geminin	0.0205	0.1601	0.3446
Loa Loa (eye worm)	carboxylesterase	0.0098	0.0734	0.1578
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0438	0.1245
Schistosoma mansoni	hypothetical protein	0.0205	0.1601	0.3446
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0025	0.0054
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0291	0.3971
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0218	0.171	0.368
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0224	0.0482
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0025	0.0035
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0025	0.0054
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2196	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0291	0.3971
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0098	0.0734	0.1578
Brugia malayi	endonuclease G, mitochondrial precursor	0.0022	0.0118	0.0163
Plasmodium falciparum	cytochrome c, putative	0.0111	0.0841	0.2448
Echinococcus granulosus	BC026374 protein S09 family	0.0098	0.0734	0.1578
Trypanosoma cruzi	cytochrome c, putative	0.0111	0.0841	0.3131
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0025	0.0035
Schistosoma mansoni	hypothetical protein	0.008	0.0587	0.1263
Brugia malayi	Carboxylesterase family protein	0.0098	0.0734	0.1012
Brugia malayi	MAP kinase sur-1	0.0062	0.0438	0.0604
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0291	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0025	0.0054
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0025	0.0035
Mycobacterium ulcerans	carboxylesterase, LipT	0.0098	0.0734	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0438	0.1631
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0098	0.0734	0.1578
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0438	0.5972
Echinococcus granulosus	cytochrome c	0.0111	0.0841	0.181
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Echinococcus granulosus	Endonuclease G	0.0022	0.0118	0.0255
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0291	0.0983
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0291	0.0983
Onchocerca volvulus		0.0098	0.0734	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Toxoplasma gondii	RNA-directed DNA polymerase	0.0338	0.2686	1
Echinococcus multilocularis	cytochrome c	0.0111	0.0841	0.181
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.008	0.0587	0.1263
Leishmania major	hypothetical protein, conserved	0.0043	0.0291	0.0673
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0031	0.0191	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0191	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0239	0.0513
Brugia malayi	N-terminal motif family protein	0.0218	0.171	0.2358
Onchocerca volvulus		0.0037	0.0239	0.0239
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Brugia malayi	DIX domain containing protein	0.0011	0.0025	0.0035
Brugia malayi	Cytochrome c type-1	0.0111	0.0841	0.116
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0438	0.1631
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0098	0.0734	0.2322
Brugia malayi	hypothetical protein	0.0098	0.0734	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0025	0.0054
Brugia malayi	Telomerase reverse transcriptase	0.09	0.7252	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0098	0.0734	0.1578
Trypanosoma cruzi	endonuclease G, putative	0.0022	0.0118	0.0441
Mycobacterium ulcerans	lipase LipD	0.0043	0.0291	0.0983
Brugia malayi	Carboxylesterase family protein	0.0098	0.0734	0.1012
Brugia malayi	hypothetical protein	0.0011	0.0025	0.0035
Echinococcus granulosus	acetylcholinesterase	0.0579	0.4648	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0025	0.0054
Leishmania major	telomerase reverse transcriptase, putative	0.0338	0.2686	1
Loa Loa (eye worm)	hypothetical protein	0.0565	0.453	0.9746
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0224	0.0482
Trichomonas vaginalis	esterase, putative	0.0043	0.0291	0.3971
Schistosoma mansoni	dep domain containing protein	0.0011	0.0025	0.0054
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0037	0.0239	0.0513
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0291	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0031	0.0191	0.0411
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0291	0.0197
Wolbachia endosymbiont of Brugia malayi	cytochrome c2	0.0111	0.0841	0.5
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0307	0.2436	0.336
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0291	0.1084
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0438	0.1245
Leishmania major	cytochrome c, putative	0.0111	0.0841	0.2814
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0037	0.0239	0.0513
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0291	0.0983
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0438	0.0943
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0338	0.2686	1
Echinococcus granulosus	acetylcholinesterase	0.0579	0.4648	1
Onchocerca volvulus		0.0043	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0579	0.4648	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0291	0.0627
Trichomonas vaginalis	spcc417.12 protein, putative	0.0098	0.0734	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0291	0.0627
Brugia malayi	small heat shock protein	0.0565	0.453	0.6246
Onchocerca volvulus		0.0037	0.0239	0.0239
Trypanosoma brucei	telomerase reverse transcriptase	0.0338	0.2686	1
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0025	0.0054
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0025	0.0054
Toxoplasma gondii	cytochrome c, putative	0.0038	0.0243	0.0819
Loa Loa (eye worm)	STAT protein	0.0307	0.2436	0.5242
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0291	0.0627
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0291	0.3971
Loa Loa (eye worm)	hypothetical protein	0.0579	0.4648	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0098	0.0734	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0098	0.0734	0.1578
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0438	0.1631
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Plasmodium vivax	cytochrome c, putative	0.0111	0.0841	0.2448
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0438	0.5972
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0037	0.0239	0.0513
Echinococcus multilocularis	para nitrobenzyl esterase	0.0098	0.0734	0.1578
Trypanosoma brucei	cytochrome c	0.0111	0.0841	0.2814
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Onchocerca volvulus		0.0098	0.0734	0.0734
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0438	0.5972
Brugia malayi	hypothetical protein	0.0011	0.0025	0.0035
Echinococcus granulosus	para nitrobenzyl esterase	0.0098	0.0734	0.1578
Schistosoma mansoni	dishevelled	0.0011	0.0025	0.0054
Leishmania major	cytochrome c, putative	0.0111	0.0841	0.2814
Trypanosoma cruzi	cytochrome c, putative	0.0111	0.0841	0.3131
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0291	0.0627
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0291	0.0673
Brugia malayi	Carboxylesterase family protein	0.0579	0.4648	0.6409
Brugia malayi	Thrombospondin type 1 domain containing protein	0.008	0.0587	0.0809
Brugia malayi	Carboxylesterase family protein	0.0579	0.4648	0.6409
Echinococcus multilocularis	ectonucleotide	0.0031	0.0191	0.0411
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0022	0.0118	0.0441
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0025	0.0054
Plasmodium falciparum	telomerase reverse transcriptase	0.0338	0.2686	1
Brugia malayi	Carboxylesterase family protein	0.0098	0.0734	0.1012
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0025	0.0054
Schistosoma mansoni	acetylcholinesterase	0.0098	0.0734	0.1578
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0239	0.0513
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Entamoeba histolytica	hypothetical protein	0.0035	0.0224	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0037	0.0239	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Brugia malayi	beta-lactamase family protein	0.0043	0.0291	0.0402
Echinococcus multilocularis	acetylcholinesterase	0.0579	0.4648	1
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0438	0.0943
Brugia malayi	beta-lactamase family protein	0.0043	0.0291	0.0402
Onchocerca volvulus		0.0098	0.0734	0.0734
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0025	0.0054
Onchocerca volvulus		0.0043	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Echinococcus granulosus	neuroligin	0.0098	0.0734	0.1578
Schistosoma mansoni	hypothetical protein	0.0035	0.0224	0.0482
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0438	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0025	0.0025
Entamoeba histolytica	hypothetical protein	0.0035	0.0224	1
Loa Loa (eye worm)	cytochrome c type-1	0.0111	0.0841	0.181
Onchocerca volvulus		0.0098	0.0734	0.0734
Onchocerca volvulus		0.0098	0.0734	0.0734
Schistosoma mansoni	dishevelled	0.0011	0.0025	0.0054
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Loa Loa (eye worm)	carboxylesterase	0.0098	0.0734	0.1578
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0438	0.0943
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0098	0.0734	0.1578
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0438	0.1631
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0291	0.0627
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0025	0.0054
Echinococcus granulosus	ectonucleotide	0.0031	0.0191	0.0411
Onchocerca volvulus		0.0043	0.0291	0.0291
Schistosoma mansoni	cytochrome c	0.0111	0.0841	0.181
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0338	0.2686	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0025	0.0054
Onchocerca volvulus		0.0011	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0734	0.1578
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0438	0.1552
Brugia malayi	Carboxylesterase family protein	0.0098	0.0734	0.1012
Loa Loa (eye worm)	carboxylesterase	0.0579	0.4648	1
Trypanosoma cruzi	endonuclease G, putative	0.0022	0.0118	0.0441
Brugia malayi	beta-lactamase	0.0043	0.0291	0.0402
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.171	0.171
Trypanosoma brucei	protein kinase, putative	0.0062	0.0438	0.1245
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0025	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0291	0.1084
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0098	0.0734	0.1578
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0291	1
Brugia malayi	hypothetical protein	0.0035	0.0224	0.0309
Loa Loa (eye worm)	acetylcholinesterase 1	0.0579	0.4648	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0291	0.0627
Echinococcus granulosus	geminin	0.0205	0.1601	0.3446
Giardia lamblia	Telomerase catalytic subunit	0.0338	0.2686	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0291	0.0983
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0098	0.0734	0.1578
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0098	0.0734	0.1578
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0438	0.5972
Schistosoma mansoni	endonuclease related	0.0022	0.0118	0.0255
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0037	0.0239	0.0329
Entamoeba histolytica	hypothetical protein	0.0035	0.0224	1
Echinococcus multilocularis	carboxylesterase 5A	0.0579	0.4648	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0291	0.0402
Echinococcus granulosus	carboxylesterase 5A	0.0579	0.4648	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0438	0.1245
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0579	0.4648	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0037	0.0239	0.0513

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1300 uM	Inhibition of beta-lactamase AmpC (unknown origin)	ChEMBL.	18333608
Potency (functional)	= 0.0063 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (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)	6.5131 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	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: CHEMBL258877
PubChem: 2925264

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 512783