TDR Targets

Basic information

Technical information

TDR Targets ID: 512422
Name: 2-[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxoprop an-2-yl]-1,3-dioxoisoindole-5-carboxylic acid
MW: 378.335 | Formula: C20H14N2O6
H donors: 3 H acceptors: 6 LogP: 2.14 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2
InChi: 1S/C20H14N2O6/c23-17-13-6-5-10(19(25)26)7-14(13)18(24)22(17)16(20(27)28)8-11-9-21-15-4-2-1-3-12(11)15/h1-7,9,16,21H,8H2,(H,25,26)(H,27,28)/t16-/m1/s1
InChiKey: ZLCMJIUSWSBZAU-MRXNPFEDSA-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-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid
2-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-1,3-dioxo-5-isoindolinecarboxylic acid
2-[(2R)-1-hydroxy-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]-1,3-dioxo-isoindole-5-carboxylic acid
2-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1,3-diketo-isoindoline-5-carboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1586	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0066	0.0064
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0075	0.0016	0.0003
Onchocerca volvulus		0.008	0.0052	0.021
Toxoplasma gondii	PAN domain-containing protein	0.008	0.0052	0.0089
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0392	0.0461
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0016	0.0015
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0281
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0075	0.0016	0.0003
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Echinococcus granulosus	protein kinase c iota type	0.0227	0.1169	0.1405
Loa Loa (eye worm)	PAN domain-containing protein	0.008	0.0052	0.0048
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0557	0.3672	0.4446
Entamoeba histolytica	protein kinase, putative	0.0079	0.0047	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1414	0.1703
Echinococcus multilocularis	protein kinase c epsilon type	0.029	0.1647	0.1986
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Onchocerca volvulus		0.0081	0.0066	0.0281
Echinococcus granulosus	cathepsin b	0.0133	0.0455	0.0537
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Onchocerca volvulus		0.0192	0.0907	0.476
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0064
Entamoeba histolytica	protein kinase, putative	0.0079	0.0047	0.0578
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0121	0.0365	0.0428
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0016	0.0015
Brugia malayi	Trypsin family protein	0.0081	0.0066	0.005
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Onchocerca volvulus		0.008	0.0052	0.021
Loa Loa (eye worm)	hypothetical protein	0.116	0.8241	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	PAN domain-containing protein	0.008	0.0052	0.0048
Echinococcus multilocularis	serine threonine protein kinase	0.0202	0.098	0.1175
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0066	0.0064
Toxoplasma gondii	microneme protein, putative	0.008	0.0052	0.0089
Brugia malayi	protein kinase C3,putative	0.0154	0.0618	0.0603
Echinococcus multilocularis	cathepsin b	0.0133	0.0455	0.0537
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0066	0.0064
Toxoplasma gondii	PAN domain-containing protein	0.008	0.0052	0.0089
Toxoplasma gondii	PAN domain-containing protein	0.008	0.0052	0.0089
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0322	0.1891	0.5
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0147	0.0565	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0079	0.0047	0.5
Onchocerca volvulus		0.008	0.0052	0.021
Toxoplasma gondii	microneme protein MIC17B	0.008	0.0052	0.0089
Onchocerca volvulus		0.008	0.0052	0.021
Brugia malayi	Protein kinase c protein 2	0.0197	0.0944	0.093
Onchocerca volvulus		0.0081	0.0066	0.0281
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Brugia malayi	protein kinase C II.	0.029	0.1647	0.1634
Loa Loa (eye worm)	PAN domain-containing protein	0.008	0.0052	0.0048
Toxoplasma gondii	subtilisin SUB12	0.008	0.0052	0.0089
Brugia malayi	Kringle domain containing protein	0.0322	0.1891	0.1878
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0216	0.1084	0.1302
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0075	0.0016	0.0003
Echinococcus granulosus	Protein kinase C brain isozyme	0.027	0.1495	0.1801
Onchocerca volvulus		0.0282	0.1586	0.8379
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1586	0.1912
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0133	0.0455	0.044
Echinococcus granulosus	tissue type plasminogen activator	0.0322	0.1891	0.2282
Echinococcus multilocularis	tissue type plasminogen activator	0.0322	0.1891	0.2282
Schistosoma mansoni	hypothetical protein	0.0081	0.0066	0.0281
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0129	0.043	0.0506
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0075	0.0016	0.0003
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Echinococcus multilocularis	transmembrane protease serine 3	0.0081	0.0066	0.0064
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0016	0.0015
Echinococcus granulosus	transmembrane protease serine 3	0.0081	0.0066	0.0064
Schistosoma mansoni	hypothetical protein	0.0081	0.0066	0.0281
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0081	0.0066	0.0064
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Toxoplasma gondii	microneme protein MIC4	0.008	0.0052	0.0089
Loa Loa (eye worm)	TK/ROR protein kinase	0.0322	0.1891	0.2282
Loa Loa (eye worm)	hypothetical protein	0.035	0.2101	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0066	0.0064
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0079	0.0047	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0357	0.2152	0.26
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0455	0.0537
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.0455	0.2353
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Loa Loa (eye worm)	PAN domain-containing protein	0.008	0.0052	0.0048
Brugia malayi	Trypsin-like protease protein 5	0.0081	0.0066	0.005
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Onchocerca volvulus		0.0081	0.0066	0.0281
Brugia malayi	Protein kinase domain containing protein	0.0322	0.1891	0.1878
Echinococcus granulosus	serine:threonine protein kinase N2	0.0075	0.0016	0.0003
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0081	0.0066	0.0064
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0016	0.0015
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.1495	0.7891
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1554	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.029	0.1647	0.1986
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0075	0.0016	0.0003
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0075	0.0016	0.0003
Schistosoma mansoni	serine/threonine kinase	0.0075	0.0016	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1414	0.1703
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Onchocerca volvulus		0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0322	0.1891	0.2282
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1586	0.1912
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0075	0.0016	0.0003
Onchocerca volvulus		0.008	0.0052	0.021
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0121	0.0365	0.0428
Echinococcus granulosus	NDR protein kinase	0.0075	0.0016	0.0003
Brugia malayi	Protein kinase domain containing protein	0.0079	0.0047	0.0032
Schistosoma mansoni	hypothetical protein	0.0322	0.1891	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0081	0.0066	0.0064
Echinococcus multilocularis	glycoprotein Antigen 5	0.0081	0.0066	0.0064
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Loa Loa (eye worm)	trypsin family protein	0.0081	0.0066	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0066	0.0064
Onchocerca volvulus		0.0259	0.1414	0.7463
Toxoplasma gondii	1,3(4)-beta-glucanase	0.008	0.0052	0.0089
Onchocerca volvulus		0.0322	0.1891	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0081	0.0066	0.0281
Toxoplasma gondii	hypothetical protein	0.008	0.0052	0.0089
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0259	0.1414	0.7463
Onchocerca volvulus		0.0078	0.0038	0.0134
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0016	0.3308
Echinococcus granulosus	glycoprotein Antigen 5	0.0081	0.0066	0.0064
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0016	0.3308
Echinococcus multilocularis	protein kinase c iota type	0.0227	0.1169	0.1405
Brugia malayi	C1-like domain containing protein	0.0194	0.0923	0.0908
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.1495	0.7891
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.016	0.0665	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0939	0.1125
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0016	0.3308
Brugia malayi	Trypsin family protein	0.0081	0.0066	0.005
Leishmania major	hypothetical protein, conserved	0.0322	0.1891	0.5
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0392	0.0461
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Toxoplasma gondii	PAN/Apple domain-containing protein	0.008	0.0052	0.0089
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0075	0.0016	0.0003
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0281
Brugia malayi	Tachykinin-like peptides receptor 99D	0.116	0.8241	0.8239
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0075	0.0016	0.0003
Echinococcus multilocularis	cathepsin b	0.0133	0.0455	0.0537
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0194	0.0923	0.0908
Loa Loa (eye worm)	PAN domain-containing protein	0.008	0.0052	0.0048
Onchocerca volvulus		0.0197	0.0939	0.4929
Mycobacterium ulcerans	hypothetical protein	0.0081	0.0066	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.029	0.1647	0.8704
Onchocerca volvulus		0.0124	0.0392	0.2019
Onchocerca volvulus		0.008	0.0052	0.021
Echinococcus granulosus	serine:threonine protein kinase N2	0.0143	0.0534	0.0633
Echinococcus multilocularis	neuropeptide FF receptor 2	0.116	0.8241	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0365	0.0428
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Schistosoma mansoni	protein kinase C mu	0.0194	0.0923	0.4844
Echinococcus multilocularis	enteropeptidase	0.0081	0.0066	0.0064
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.027	0.1495	0.1801
Echinococcus granulosus	cathepsin b	0.0133	0.0455	0.0537
Brugia malayi	Trypsin family protein	0.0081	0.0066	0.005
Onchocerca volvulus		0.008	0.0052	0.021
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0075	0.0016	0.0003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Onchocerca volvulus		0.0178	0.0798	0.4183
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0075	0.0016	0.0003
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0075	0.0016	0.0003
Brugia malayi	Trypsin family protein	0.0259	0.1414	0.1401
Toxoplasma gondii	hypothetical protein	0.008	0.0052	0.0089
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0133	0.0455	0.2353
Toxoplasma gondii	microneme protein MIC17A	0.008	0.0052	0.0089
Echinococcus granulosus	neuropeptide FF receptor 2	0.116	0.8241	1
Echinococcus granulosus	Mastin	0.0081	0.0066	0.0064
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0194	0.0923	0.1105
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.0455	0.2353
Echinococcus granulosus	tm gpcr rhodopsin	0.0557	0.3672	0.4446
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Toxoplasma gondii	kringle domain-containing protein	0.0322	0.1891	0.4578
Echinococcus granulosus	protein kinase C gamma type	0.0202	0.098	0.1175
Onchocerca volvulus		0.008	0.0052	0.021
Schistosoma mansoni	cercarial elastase (S01 family)	0.0081	0.0066	0.0281
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Brugia malayi	hypothetical protein	0.0081	0.0066	0.005
Onchocerca volvulus		0.008	0.0052	0.021
Loa Loa (eye worm)	hypothetical protein	0.0192	0.0907	0.1086
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Toxoplasma gondii	PAN domain-containing protein	0.0615	0.4111	1
Toxoplasma gondii	PAN domain-containing protein	0.008	0.0052	0.0089
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0047	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0322	0.1891	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0075	0.0016	0.0003
Echinococcus multilocularis	RNA directed DNA polymerase	0.0121	0.0365	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0189	0.088	0.1054
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0075	0.0016	0.0003
Schistosoma mansoni	atypical protein kinase C	0.0233	0.1215	0.6404
Echinococcus granulosus	enteropeptidase	0.0081	0.0066	0.0064
Onchocerca volvulus		0.008	0.0052	0.021
Echinococcus multilocularis	Mastin	0.0081	0.0066	0.0064
Plasmodium falciparum	cysteine repeat modular protein 1	0.0322	0.1891	0.5
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0126	0.0408	0.048
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.0455	0.2353
Onchocerca volvulus		0.008	0.0052	0.021
Loa Loa (eye worm)	hypothetical protein	0.008	0.0052	0.0048
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0081	0.0066	0.005
Brugia malayi	PAN domain containing protein	0.008	0.0052	0.0037
Toxoplasma gondii	PAN domain-containing protein	0.0615	0.4111	1
Toxoplasma gondii	microneme protein MIC17C	0.008	0.0052	0.0089
Echinococcus granulosus	protein kinase c epsilon type	0.029	0.1647	0.1986
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0259	0.1414	0.7463
Onchocerca volvulus		0.0081	0.0066	0.0281

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 17 uM	Inhibition of beta-lactamase AmpC (unknown origin)	ChEMBL.	18333608
Ki (functional)	= 17 um	PUBCHEM_BIOASSAY: Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 585, 584 ]	ChEMBL.	No reference
Potency (functional)	= 0.7943 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)	10 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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

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: CHEMBL261377
PubChem: 16752637

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 512422