TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 625.476 | Formula: C25H28IN3O6S
H donors: 1 H acceptors: 4 LogP: 3.1 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: O=C(NC1C(=O)N2C1SC(C2C(=O)OCCOC(=O)c1ccc[n+](c1)C)(C)C)Cc1ccccc1.[I-]
InChi: 1S/C25H27N3O6S.HI/c1-25(2)20(24(32)34-13-12-33-23(31)17-10-7-11-27(3)15-17)28-21(30)19(22(28)35-25)26-18(29)14-16-8-5-4-6-9-16;/h4-11,15,19-20,22H,12-14H2,1-3H3;1H
InChiKey: KKGUUIHYRHHJRW-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.0079	0.0702	0.2387
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0028	0.0109
Onchocerca volvulus	Matrilysin homolog	0.0197	0.2098	0.713
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0162	0.0444
Echinococcus multilocularis	protein kinase c epsilon type	0.0081	0.0726	0.0726
Brugia malayi	protein kinase C3,putative	0.0021	0.0015	0.0057
Brugia malayi	C1-like domain containing protein	0.0021	0.0015	0.0057
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0058	0.0455	0.3724
Trichomonas vaginalis	phosphofructokinase, putative	0.0123	0.1221	0.3823
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0033	0.0153	0.0418
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0021	0.0015	0.0057
Brugia malayi	Animal haem peroxidase family protein	0.0079	0.0702	0.2747
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0438	0.1199
Brugia malayi	Pre-SET motif family protein	0.0034	0.0162	0.0635
Brugia malayi	jmjC domain containing protein	0.0108	0.1044	0.4083
Brugia malayi	Animal haem peroxidase family protein	0.0079	0.0702	0.2747
Schistosoma mansoni	hypothetical protein	0.0328	0.3656	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0057	0.0438	0.1714
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Onchocerca volvulus	Matrilysin homolog	0.0089	0.0815	0.277
Entamoeba histolytica	hypothetical protein	0.0041	0.0245	0.2003
Onchocerca volvulus		0.0054	0.0402	0.1366
Onchocerca volvulus	Chorion peroxidase homolog	0.0079	0.0702	0.2387
Echinococcus granulosus	dnaJ subfamily C 6	0.0069	0.0584	0.1626
Brugia malayi	DnaJ domain containing protein	0.0069	0.0584	0.2285
Onchocerca volvulus	Peroxidase homolog	0.0079	0.0702	0.2387
Echinococcus granulosus	histone acetyltransferase MYST2	0.0061	0.0491	0.1366
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0054	0.0402	0.1366
Loa Loa (eye worm)	6-phosphofructokinase	0.0123	0.1221	0.4777
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0245	0.0669
Onchocerca volvulus	Peroxidasin homolog	0.0079	0.0702	0.2387
Schistosoma mansoni	hypothetical protein	0.0069	0.0584	0.1598
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0108	0.1045	0.4086
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0055	0.0412	0.0412
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0213	0.2286	0.6363
Echinococcus granulosus	polycomb protein SCMH1	0.0054	0.0402	0.1119
Schistosoma mansoni	6-phosphofructokinase	0.0123	0.1221	0.3341
Loa Loa (eye worm)	phosphofructokinase	0.0123	0.1221	0.4777
Brugia malayi	p70 ribosomal S6 kinase beta	0.0112	0.1089	0.426
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0061	0.0491	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0026	0.0103
Onchocerca volvulus		0.0022	0.0026	0.0089
Trichomonas vaginalis	phosphofructokinase, putative	0.0123	0.1221	0.3823
Trichomonas vaginalis	AGC family protein kinase	0.0059	0.0466	0.1113
Brugia malayi	Matrixin family protein	0.0089	0.0815	0.3188
Loa Loa (eye worm)	6-phosphofructokinase	0.0123	0.1221	0.4777
Schistosoma mansoni	serine/threonine-protein kinase	0.0058	0.0455	0.1244
Echinococcus multilocularis	rac serine:threonine kinase	0.0058	0.0455	0.0455
Echinococcus granulosus	myotubularin protein 13	0.0022	0.0028	0.0078
Giardia lamblia	Kinase, AGC PKA	0.0056	0.0427	1
Echinococcus granulosus	nervana 2	0.0055	0.0412	0.1148
Brugia malayi	hypothetical protein	0.0022	0.0026	0.0103
Entamoeba histolytica	phosphofructokinase, putative	0.0123	0.1221	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0057	0.0438	0.0438
Loa Loa (eye worm)	matrixin family protein	0.0214	0.2309	0.9032
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0235	0.0644
Brugia malayi	mbt repeat family protein	0.0054	0.0402	0.1573
Entamoeba histolytica	protein kinase, putative	0.0114	0.1117	0.9146
Brugia malayi	Pre-SET motif family protein	0.0235	0.2556	1
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0438	0.1199
Schistosoma mansoni	protein kinase C	0.0024	0.005	0.0136
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0323	0.3592	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Onchocerca volvulus		0.0079	0.0702	0.2387
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0033	0.0156	0.0104
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0339	0.0339
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0026	0.0073
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0131	0.1318	0.1318
Brugia malayi	Animal haem peroxidase family protein	0.0079	0.0702	0.2747
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0015	0.0057
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0123	0.1221	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0033	0.0156	0.1276
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0057	0.0438	0.0438
Onchocerca volvulus	Alhambra homolog	0.0033	0.0153	0.052
Schistosoma mansoni	hypothetical protein	0.0022	0.0026	0.0072
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0162	0.0452
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0056	0.0424	0.0961
Entamoeba histolytica	protein kinase, putative	0.0112	0.1089	0.8917
Echinococcus multilocularis	unc 13 (munc13)	0.0024	0.005	0.005
Plasmodium vivax	6-phosphofructokinase, putative	0.0033	0.0156	0.3235
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0235	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0162	0.0635
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0061	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0021	0.0015	0.0057
Onchocerca volvulus		0.0022	0.0026	0.0089
Trichomonas vaginalis	phosphofructokinase, putative	0.0123	0.1221	0.3823
Echinococcus granulosus	serine/threonine protein kinase	0.0058	0.0455	0.1266
Echinococcus granulosus	6 phosphofructokinase	0.0123	0.1221	0.34
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0061	0.0491	0.1366
Echinococcus multilocularis	lysine specific demethylase 5A	0.004	0.0235	0.0235
Trypanosoma cruzi	Protein kinase B	0.0058	0.0455	0.0351
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0069	0.0584	0.2285
Brugia malayi	hypothetical protein	0.0041	0.0245	0.0957
Schistosoma mansoni	serine/threonine protein kinase	0.0212	0.2282	0.6244
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0058	0.0455	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Brugia malayi	protein kinase C II.	0.0081	0.0726	0.2841
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0114	0.1117	0.4369
Echinococcus multilocularis	6 phosphofructokinase	0.0123	0.1221	0.1221
Echinococcus granulosus	protein kinase c epsilon type	0.0081	0.0726	0.2022
Echinococcus multilocularis	Glutaredoxin protein 5	0.0055	0.0412	0.0412
Brugia malayi	jmjC domain containing protein	0.004	0.0235	0.0921
Echinococcus multilocularis	protein kinase c iota type	0.0077	0.0677	0.0677
Trichomonas vaginalis	AGC family protein kinase	0.0057	0.0438	0.1013
Brugia malayi	phosphofructokinase	0.0123	0.1221	0.4777
Echinococcus granulosus	nervana 2	0.0055	0.0412	0.1148
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0033	0.0156	0.5
Brugia malayi	Bromodomain containing protein	0.0033	0.0153	0.0598
Echinococcus granulosus	peroxidasin	0.0079	0.0702	0.1955
Loa Loa (eye worm)	animal heme peroxidase	0.0079	0.0702	0.2747
Trichomonas vaginalis	AGC family protein kinase	0.0057	0.0438	0.1013
Schistosoma mansoni	hypothetical protein	0.0041	0.0245	0.0669
Echinococcus granulosus	serine threonine protein kinase nrc	0.0056	0.0427	0.1188
Onchocerca volvulus	Peroxidase homolog	0.0079	0.0702	0.2387
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0058	0.0455	0.3724
Brugia malayi	Hemopexin family protein	0.0126	0.1255	0.491
Echinococcus multilocularis	myotubularin protein 13	0.0022	0.0028	0.0028
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0148	0.0411
Entamoeba histolytica	protein kinase, putative	0.0057	0.0438	0.3588
Brugia malayi	6-phosphofructokinase	0.0123	0.1221	0.4777
Echinococcus multilocularis	nervana 2	0.0055	0.0412	0.0412
Brugia malayi	Protein kinase domain containing protein	0.0057	0.0438	0.1714
Brugia malayi	Hr1 repeat family protein	0.0057	0.0438	0.1714
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0213	0.2286	0.2286
Schistosoma mansoni	serine/threonine protein kinase	0.0081	0.0726	0.1987
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0026	0.0103
Echinococcus granulosus	Glutaredoxin protein 5	0.0055	0.0412	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0491	0.192
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0123	0.1221	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.005	0.0194
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0108	0.1044	0.2906
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0057	0.0438	0.122
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0323	0.3592	0.3592
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0033	0.0153	0.0153
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0057	0.0438	0.1714
Echinococcus granulosus	protein kinase C gamma type	0.0192	0.2044	0.569
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0433	0.1693
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0212	0.2282	0.2282
Echinococcus granulosus	serine:threonine protein kinase N2	0.0057	0.0438	0.122
Echinococcus multilocularis	jumonji domain containing protein	0.0046	0.0306	0.0306
Schistosoma mansoni	hypothetical protein	0.0033	0.0153	0.0418
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.048	0.1878
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0062	0.0503	0.14
Mycobacterium ulcerans	6-phosphofructokinase	0.0123	0.1221	1
Brugia malayi	Peroxidasin	0.0079	0.0702	0.2747
Toxoplasma gondii	phosphofructokinase PFKII	0.0033	0.0156	0.1431
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0061	0.0491	0.0491
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.0532	0.2081
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0438	0.1199
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0235	0.0921
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1556	0.6087
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0026	0.0073
Brugia malayi	Matrixin family protein	0.0214	0.2309	0.9032
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1045	0.4086
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0024	0.005	0.0138
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0057	0.0438	0.0438
Schistosoma mansoni	sex comb on midleg homolog	0.0054	0.0402	0.11
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0033	0.0156	0.3235
Loa Loa (eye worm)	MBCTL1	0.0061	0.0491	0.192
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.0438	0.1199
Trichomonas vaginalis	set domain proteins, putative	0.0268	0.2943	1
Mycobacterium ulcerans	hydrolase	0.0108	0.1045	0.7439
Loa Loa (eye worm)	jmjC domain-containing protein	0.0068	0.057	0.2229
Brugia malayi	Protein kinase domain containing protein	0.0057	0.0438	0.1714
Entamoeba histolytica	hypothetical protein	0.0041	0.0245	0.2003
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0438	0.1714
Schistosoma mansoni	peroxidasin	0.0079	0.0702	0.1921
Schistosoma mansoni	serine/threonine kinase	0.0057	0.0438	0.1199
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0057	0.0438	0.0438
Loa Loa (eye worm)	matrix metalloproteinase	0.0089	0.0815	0.3188
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0056	0.0427	0.0427
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0026	0.0026
Echinococcus multilocularis	conserved hypothetical protein	0.0278	0.3061	0.3061
Loa Loa (eye worm)	mbt repeat family protein	0.0054	0.0402	0.1573
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0162	0.0162
Schistosoma mansoni	hypothetical protein	0.0126	0.1255	0.3434
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0065	0.0532	0.0532
Onchocerca volvulus	Dual oxidase homolog	0.0079	0.0702	0.2387
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0057	0.0438	0.0438
Echinococcus granulosus	NDR protein kinase	0.0057	0.0438	0.122
Schistosoma mansoni	unc-13 (munc13)	0.0024	0.005	0.0136
Onchocerca volvulus		0.0034	0.0162	0.0552
Plasmodium falciparum	phd finger protein, putative	0.0033	0.0153	0.3164
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0197	0.2098	0.713
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0065	0.0532	0.1455
Echinococcus granulosus	unc 13 munc13	0.0024	0.005	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0815	0.3188
Onchocerca volvulus		0.0089	0.0815	0.277
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0033	0.0156	0.3235
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0153	0.3164
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0108	0.1044	0.1044
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0056	0.0427	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0057	0.0438	0.1714
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0339	0.1326
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0065	0.0532	0.1481
Schistosoma mansoni	serine/threonine-protein kinase	0.0058	0.0455	0.1244
Echinococcus multilocularis	dnaJ subfamily C 6	0.0069	0.0584	0.0584
Schistosoma mansoni	sex comb on midleg homolog	0.0054	0.0402	0.11
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0054	0.0402	0.0402
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0081	0.0726	0.2841
Echinococcus granulosus	RNA directed DNA polymerase	0.0131	0.1318	0.3668
Schistosoma mansoni	jumonji domain containing protein	0.0086	0.078	0.2134
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0056	0.0427	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0033	0.0153	0.0426
Schistosoma mansoni	6-phosphofructokinase	0.0123	0.1221	0.3341
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0245	0.0245
Echinococcus multilocularis	polycomb protein SCMH1	0.0054	0.0402	0.0402
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0136	0.1382	0.5405
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0057	0.0438	0.1714
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0815	0.3188
Schistosoma mansoni	protein kinase C mu	0.0021	0.0015	0.004
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0402	0.1573
Echinococcus granulosus	SAM and MBT domain containing protein	0.0054	0.0402	0.1119
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0015	0.004
Schistosoma mansoni	hypothetical protein	0.0117	0.1152	0.315
Trichomonas vaginalis	phosphofructokinase, putative	0.0123	0.1221	0.3823
Schistosoma mansoni	lipoxygenase	0.0022	0.0026	0.0072
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0026	0.0073
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0162	0.1491
Echinococcus multilocularis	conserved hypothetical protein	0.0278	0.3061	0.3061
Echinococcus granulosus	Protein kinase C brain isozyme	0.0212	0.2282	0.6354
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0245	0.0681
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0235	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0153	0.0598
Brugia malayi	Pleckstrin Homology Domain	0.0022	0.0028	0.0109
Onchocerca volvulus	Peroxidasin homolog	0.0079	0.0702	0.2387
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0162	0.0444
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0057	0.0438	0.0438
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Echinococcus multilocularis	RNA directed DNA polymerase	0.0131	0.1318	0.1318
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0123	0.1221	1
Brugia malayi	6-phosphofructokinase	0.0123	0.1221	0.4777
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0339	0.0927
Schistosoma mansoni	glucose-6-phosphatase	0.028	0.3082	0.8431
Schistosoma mansoni	serine/threonine protein kinase	0.0212	0.2282	0.6244
Brugia malayi	mbt repeat family protein	0.0054	0.0402	0.1573
Schistosoma mansoni	atypical protein kinase C	0.0077	0.0677	0.1851
Entamoeba histolytica	protein kinase 2, putative	0.0056	0.0427	0.3496
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0339	0.0944
Trypanosoma brucei	RNA helicase, putative	0.0117	0.1152	0.3326
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0339	0.0944
Brugia malayi	Doublecortin family protein	0.0022	0.0026	0.0103
Echinococcus multilocularis	serine threonine protein kinase	0.0192	0.2044	0.2044
Schistosoma mansoni	vav2	0.0022	0.0028	0.0076
Echinococcus multilocularis	peroxidasin	0.0079	0.0702	0.0702
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0062	0.0503	0.0503
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0026	0.0026
Brugia malayi	Protein kinase c protein 2	0.0157	0.162	0.6338
Brugia malayi	PHD-finger family protein	0.0033	0.0153	0.0598
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0021	0.0015	0.0041
Brugia malayi	Protein kinase domain containing protein	0.0114	0.1117	0.4369
Entamoeba histolytica	hypothetical protein	0.0041	0.0245	0.2003
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Onchocerca volvulus		0.0079	0.0702	0.2387
Echinococcus granulosus	jumonji domain containing protein	0.0046	0.0306	0.0853
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0054	0.0402	0.11
Loa Loa (eye worm)	matrixin family protein	0.0197	0.2098	0.8208
Schistosoma mansoni	rab6-interacting	0.0022	0.0026	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0028	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0026	0.0103
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0033	0.0156	0.5
Entamoeba histolytica	phosphofructokinase, putative	0.0123	0.1221	1
Schistosoma mansoni	unc-13 (munc13)	0.0024	0.005	0.0136
Schistosoma mansoni	loxhd1	0.0022	0.0026	0.0072
Brugia malayi	Blistered cuticle protein 3	0.0079	0.0702	0.2747
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0055	0.0412	0.1148
Echinococcus granulosus	protein kinase c iota type	0.0077	0.0677	0.1884
Onchocerca volvulus		0.0126	0.1255	0.4266
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Plasmodium vivax	SET domain protein, putative	0.0034	0.0162	0.3397
Onchocerca volvulus		0.0024	0.005	0.0168
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0089	0.0815	0.223
Entamoeba histolytica	phosphofructokinase, putative	0.0123	0.1221	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0026	0.0026
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0057	0.0438	0.1714
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0094	0.0874	0.239
Echinococcus multilocularis	RUN	0.0022	0.0026	0.0026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0339	0.1326
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0021	0.0015	0.0057
Loa Loa (eye worm)	animal heme peroxidase	0.0079	0.0702	0.2747
Trichomonas vaginalis	AGC family protein kinase	0.0114	0.1117	0.3449
Echinococcus granulosus	peregrin	0.0033	0.0153	0.0426
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0123	0.1221	1
Brugia malayi	Matrixin family protein	0.0089	0.0815	0.3188
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0162	0.0444
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0021	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Entamoeba histolytica	protein kinase, putative	0.0114	0.1117	0.9146
Trichomonas vaginalis	AGC family protein kinase	0.0057	0.0438	0.1013
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0153	0.1405
Brugia malayi	hypothetical protein	0.0022	0.0026	0.0103
Loa Loa (eye worm)	animal heme peroxidase	0.0079	0.0702	0.2747
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0057	0.0438	0.122
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1318	0.5154
Brugia malayi	Animal haem peroxidase family protein	0.0079	0.0702	0.2747
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0123	0.1221	1
Brugia malayi	hypothetical protein	0.0079	0.0702	0.2747
Echinococcus multilocularis	nervana 2	0.0055	0.0412	0.0412
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0057	0.0438	0.122
Toxoplasma gondii	AGC kinase	0.0112	0.1089	1
Schistosoma mansoni	rab6-interacting	0.0022	0.0026	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0815	0.3188
Brugia malayi	Animal haem peroxidase family protein	0.0079	0.0702	0.2747
Toxoplasma gondii	6-phosphofructokinase	0.0033	0.0156	0.1431
Brugia malayi	Matrixin family protein	0.0089	0.0815	0.3188
Brugia malayi	Matrixin family protein	0.0089	0.0815	0.3188
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0162	0.0444
Schistosoma mansoni	polycystin 1-related	0.0022	0.0026	0.0072
Loa Loa (eye worm)	animal heme peroxidase	0.0079	0.0702	0.2747
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0235	0.2556	1
Schistosoma mansoni	lipoxygenase	0.0062	0.0503	0.1376
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0162	0.0162
Leishmania major	ATP-dependent phosphofructokinase	0.0123	0.1221	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0112	0.1089	0.426
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0702	0.2747
Loa Loa (eye worm)	blistered cuticle protein 3	0.0079	0.0702	0.2747
Onchocerca volvulus		0.0268	0.2943	1
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0015	0.004
Onchocerca volvulus		0.0022	0.0028	0.0095
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0069	0.0584	0.1537
Loa Loa (eye worm)	PHD-finger family protein	0.0033	0.0153	0.0598
Entamoeba histolytica	hypothetical protein	0.0041	0.0245	0.2003
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0108	0.1045	0.7439
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0339	0.0927
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0339	0.0339
Echinococcus multilocularis	peregrin	0.0033	0.0153	0.0153
Plasmodium vivax	6-phosphofructokinase, putative	0.0033	0.0156	0.3235
Toxoplasma gondii	PHD-finger domain-containing protein	0.0033	0.0153	0.1405
Echinococcus granulosus	RUN	0.0022	0.0026	0.0073
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0024	0.005	0.005
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0056	0.0427	0.1188
Schistosoma mansoni	peroxidasin	0.0079	0.0702	0.1921
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0061	0.0491	0.192
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0339	0.0927
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0033	0.0156	0.1431

Activities

Activity type	Activity value	Assay description	Source	Reference
K (ADMET)	= 0.025 min-1	Pseudo first-order rate constant (K) for disappearance of compound from rat 10% brain homogenate	ChEMBL.	2754705
K (ADMET)	= 0.043 min-1	Pseudo first-order rate constant (K) for disappearance of compound from rabbit 10% brain homogenate	ChEMBL.	2754705
K (ADMET)	= 0.061 min-1	Pseudo first-order rate constant (K) for disappearance of compound from dog whole blood	ChEMBL.	2754705
K (ADMET)	= 0.105 min-1	Pseudo first-order rate constant (K) for disappearance of compound from human whole blood	ChEMBL.	2754705
K (ADMET)	= 0.105 min-1	Pseudo first-order rate constant (K) for disappearance of compound from human whole blood	ChEMBL.	2754705
K (ADMET)	= 0.33 min-1	Pseudo first-order rate constant (K) for disappearance of compound from rabbit whole blood	ChEMBL.	2754705
K (ADMET)	= 0.435 min-1	Pseudo first-order rate constant (K) for disappearance of compound from rat whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 1.6 min	Half-life for disappearance of compound from rat whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 2 min	Half-life for disappearance of compound from rabbit whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 6.7 min	Half-life for disappearance of compound from human whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 6.7 min	Half-life for disappearance of compound from human whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 11.5 min	Half-life for disappearance of compound from dog whole blood	ChEMBL.	2754705
T1/2 (ADMET)	= 16.7 min	Half-life for disappearance of compound from rabbit 10% brain homogenate	ChEMBL.	2754705
T1/2 (ADMET)	= 28.2 min	Half-life for disappearance of compound from rat 10% brain homogenate	ChEMBL.	2754705

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: CHEMBL297291

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 72555