TDR Targets

Basic information

Technical information

TDR Targets ID: 1309048
Name: 4-(ethylsulfanyl)-2-phenyl-6-(1-pyrrolidinyl) pyrimidine
MW: 285.407 | Formula: C16H19N3S
H donors: 0 H acceptors: 2 LogP: 4.02 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCSc1nc(nc(c1)N1CCCC1)c1ccccc1
InChi: 1S/C16H19N3S/c1-2-20-15-12-14(19-10-6-7-11-19)17-16(18-15)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChiKey: CLXVYDNWHUFKJJ-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

MLS000325026
SMR000161760
ZINC00387271

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Inositol monophosphatase 1	Starlite/ChEMBL	No references
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium ulcerans	extragenic suppressor protein SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	Get druggable targets OG5_126810	All targets in OG5_126810
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	Inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania infantum	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Neospora caninum	hypothetical protein	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma congolense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania mexicana	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus multilocularis	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Echinococcus granulosus	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania braziliensis	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Entamoeba histolytica	myo-inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania donovani	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	307 aa	22.5 %
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	309 aa	27.8 %
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	27.3 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	268 aa	22.4 %
Onchocerca volvulus	Putative trans-2-enoyl-CoA reductase 1, mitochondrial	Inositol monophosphatase 1	277 aa	278 aa	23.0 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	287 aa	22.3 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	300 aa	22.0 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	263 aa	24.0 %
Schistosoma mansoni	pap-inositol-14-phosphatase	Inositol monophosphatase 1	277 aa	279 aa	22.9 %
Onchocerca volvulus		Inositol monophosphatase 1	277 aa	238 aa	22.7 %
Loa Loa (eye worm)	hypothetical protein	Inositol monophosphatase 1	277 aa	298 aa	23.8 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	306 aa	22.5 %
Onchocerca volvulus	Putative 28S ribosomal protein S10, mitochondrial	Inositol monophosphatase 1	277 aa	271 aa	46.1 %
Schistosoma japonicum	ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative	Inositol monophosphatase 1	277 aa	275 aa	21.5 %
Trichomonas vaginalis	diphosphonucleoside phosphohydrolase, putative	Inositol monophosphatase 1	277 aa	263 aa	21.7 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase	Inositol monophosphatase 1	277 aa	230 aa	25.2 %
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	Inositol monophosphatase 1	277 aa	291 aa	23.7 %
Trypanosoma congolense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	28.9 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	258 aa	21.7 %
Brugia malayi	Inositol monophosphatase family protein	Inositol monophosphatase 1	277 aa	238 aa	21.8 %
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	Inositol monophosphatase 1	277 aa	284 aa	30.6 %
Trichomonas vaginalis	myo inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	276 aa	21.4 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase 1	Inositol monophosphatase 1	277 aa	275 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cathepsin F (C01 family)	0.0103	0.122	0.1129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0113	0.1367	0.1278
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0067	0.0697	0.0601
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0057	0.0555	0.0458
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0115	0.2796
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.048	0.0382
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Onchocerca volvulus		0.0103	0.122	0.152
Plasmodium vivax	unspecified product	0.0057	0.0555	0.448
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0072	0.0767	0.1036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.048	0.0382
Loa Loa (eye worm)	cysteine protease	0.0103	0.122	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0697	0.0682
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0707	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0176	0.016
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0102	0.0086
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.122	0.2733
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.048	0.0382
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0103	0.122	1
Brugia malayi	Papain family cysteine protease containing protein	0.0103	0.122	0.1742
Echinococcus granulosus	inositol monophosphatase 1	0.0045	0.0371	0.0271
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0045	0.0371	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0321	0.034
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Plasmodium vivax	unspecified product	0.0026	0.0102	0.0716
Onchocerca volvulus		0.0103	0.122	0.152
Onchocerca volvulus	Cathepsin L homolog	0.0103	0.122	0.152
Onchocerca volvulus		0.0532	0.7456	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0103	0.122	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0026	0.0102	0.0716
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.0371	0.0365
Echinococcus multilocularis	cathepsin b	0.0308	0.4191	0.4131
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0115	0.2796
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0057	0.0555	0.1108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.0767	0.0904
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0113	0.1367	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0308	0.4191	0.6374
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1872	0.2406
Plasmodium vivax	vivapain-3	0.0057	0.0555	0.448
Echinococcus granulosus	cathepsin l1	0.0072	0.0767	0.0671
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Onchocerca volvulus		0.0067	0.0697	0.0809
Schistosoma mansoni	inositol monophosphatase	0.0045	0.0371	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1872	0.1859
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	0.4191	0.4131
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0102	0.0086
Onchocerca volvulus	Cathepsin F homolog	0.0103	0.122	0.152
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1872	0.1859
Plasmodium vivax	serine-repeat antigen (SERA)	0.0026	0.0102	0.0716
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0016	0.0529
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Schistosoma mansoni	inositol monophosphatase	0.0045	0.0371	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Echinococcus multilocularis	importin subunit beta 1	0.0066	0.0686	0.0589
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0103	0.122	0.1206
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0555	0.1853
Plasmodium falciparum	serine repeat antigen 2	0.0026	0.0102	0.0716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.0371	0.0657
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0697	0.0601
Leishmania major	GTP-binding protein, putative	0.0049	0.0431	0.2526
Echinococcus multilocularis	cysteine protease	0.0103	0.122	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0103	0.122	0.1206
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0115	0.002
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0049	0.0431	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0115	0.0099
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0597	0.0772
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0115	0.002
Plasmodium falciparum	serine repeat antigen 4	0.0026	0.0102	0.0716
Brugia malayi	RNA, U transporter 1	0.0188	0.246	0.3676
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.004	0.0303	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.0303	1
Trypanosoma cruzi	cysteine protease, putative	0.0057	0.0555	0.1108
Trichomonas vaginalis	ran, putative	0.0049	0.0431	0.0448
Trypanosoma cruzi	cysteine peptidase, putative	0.0057	0.0555	0.1108
Entamoeba histolytica	cysteine proteinase 1, putative	0.0057	0.0555	0.4054
Plasmodium vivax	importin-beta 2, putative	0.0066	0.0686	0.5561
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0057	0.0555	0.0458
Brugia malayi	Papain family cysteine protease containing protein	0.0057	0.0555	0.0706
Onchocerca volvulus		0.0027	0.0115	0.0018
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0115	0.2796
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.048	0.0382
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.122	1
Brugia malayi	Cathepsin L-like precursor	0.0072	0.0767	0.1036
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0103	0.122	1
Plasmodium falciparum	serine repeat antigen 1	0.0026	0.0102	0.0716
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0072	0.0767	0.1625
Giardia lamblia	Cathepsin B precursor	0.0113	0.1367	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.122	1
Echinococcus granulosus	cathepsin L	0.0057	0.0555	0.0458
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.0767	0.0904
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0067	0.0697	0.0601
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0662	0.0565
Echinococcus granulosus	importin subunit beta 1	0.0066	0.0686	0.0589
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0103	0.122	0.1206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.122	0.2733
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0026	0.0102	0.0716
Onchocerca volvulus		0.0103	0.122	0.152
Echinococcus multilocularis	cathepsin b	0.0308	0.4191	0.4131
Echinococcus multilocularis	geminin	0.0381	0.5255	0.5206
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0115	0.0099
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0067	0.0697	0.4706
Echinococcus granulosus	cysteine protease	0.0057	0.0555	0.0458
Brugia malayi	cathepsin L-like precursor	0.0072	0.0767	0.1036
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0103	0.122	0.1129
Schistosoma mansoni	importin beta-1	0.0066	0.0686	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0767	0.0752
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0767	0.0752
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.048	0.0382
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0697	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0321	0.0305
Loa Loa (eye worm)	fibroinase	0.0103	0.122	0.1206
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0555	0.0616
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0115	0.2796
Toxoplasma gondii	HEAT repeat-containing protein	0.0066	0.0686	0.4612
Echinococcus multilocularis	snurportin 1	0.0707	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0031	0.0176	0.018
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0113	0.1367	1
Schistosoma mansoni	cathepsin s	0.0031	0.0176	0.0074
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0555	0.4054
Schistosoma mansoni	hypothetical protein	0.0381	0.5255	0.5206
Schistosoma mansoni	hypothetical protein	0.0381	0.5255	0.5206
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0115	0.3804
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0049	0.0431	0.0416
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0049	0.0431	0.345
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0026	0.0102	0.0716
Entamoeba histolytica	hypothetical protein	0.0054	0.0503	0.359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma cruzi	cysteine proteinase, putative	0.0057	0.0555	0.1108
Plasmodium falciparum	importin beta, putative	0.0066	0.0686	0.5561
Entamoeba histolytica	cysteine proteinase 2	0.0057	0.0555	0.4054
Plasmodium falciparum	serine repeat antigen 7	0.0026	0.0102	0.0716
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0049	0.0431	0.0608
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Brugia malayi	Papain family cysteine protease containing protein	0.0057	0.0555	0.0706
Trichomonas vaginalis	inositol monophosphatase, putative	0.0045	0.0371	0.0365
Brugia malayi	hypothetical protein	0.0148	0.1872	0.2759
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Entamoeba histolytica	cysteine proteinase, putative	0.0072	0.0767	0.5946
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0031	0.0176	0.0115
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0115	0.0116
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0045	0.0371	0.2123
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Echinococcus granulosus	cathepsin L cysteine protease	0.0057	0.0555	0.0458
Onchocerca volvulus		0.0103	0.122	0.152
Trypanosoma brucei	importin beta-1 subunit, putative	0.0066	0.0686	0.316
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0113	0.1367	0.172
Brugia malayi	Importin beta-1 subunit	0.0066	0.0686	0.0909
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0026	0.0102	0.0716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0057	0.0555	0.1853
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0045	0.0371	0.2402
Onchocerca volvulus		0.0072	0.0767	0.0904
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	0.4191	0.4131
Toxoplasma gondii	cathepsin B	0.0113	0.1367	1
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0026	0.0102	0.0716
Loa Loa (eye worm)	cathepsin B	0.0113	0.1367	0.1353
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.048	0.0589
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0103	0.122	0.1129
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.048	0.0382
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0049	0.0431	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Schistosoma mansoni	cathepsin F (C01 family)	0.0072	0.0767	0.0671
Echinococcus granulosus	cathepsin l1	0.0103	0.122	0.1129
Schistosoma mansoni	hypothetical protein	0.0041	0.0321	0.0221
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0115	0.2796
Plasmodium vivax	serine-repeat antigen (SERA)	0.0026	0.0102	0.0716
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0597	0.0582
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0031	0.0176	0.016
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0115	0.0116
Brugia malayi	cathepsin F-like cysteine proteinase	0.0031	0.0176	0.0115
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Echinococcus granulosus	cathepsin b	0.0308	0.4191	0.4131
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0555	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0176	0.016
Leishmania major	importin beta-1 subunit, putative	0.0054	0.0503	0.3102
Echinococcus multilocularis	cathepsin L cysteine protease	0.0103	0.122	0.1129
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0308	0.4191	0.4131
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0054	0.0503	0.0546
Schistosoma mansoni	ran	0.0049	0.0431	0.0333
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.048	0.0382
Trypanosoma cruzi	cruzipain precursor, putative	0.0103	0.122	0.2733
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Schistosoma mansoni	hypothetical protein	0.0707	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.048	0.0465
Giardia lamblia	Cathepsin B precursor	0.0113	0.1367	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0115	0.2796
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0176	0.0115
Giardia lamblia	Cathepsin B precursor	0.0113	0.1367	1
Echinococcus multilocularis	cathepsin L	0.0057	0.0555	0.0458
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0067	0.0697	0.0601
Brugia malayi	Pre-SET motif family protein	0.0067	0.0697	0.0928
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0115	0.3804
Plasmodium falciparum	serine repeat antigen 3	0.0026	0.0102	0.0716
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0049	0.0431	0.0805
Brugia malayi	Cathepsin L-like precursor	0.0072	0.0767	0.1036
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0555	0.4054
Toxoplasma gondii	cathepsin CPL	0.0103	0.122	0.8838
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0026	0.0102	0.0716
Loa Loa (eye worm)	inositol-1	0.0045	0.0371	0.0355
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.122	0.2733
Entamoeba histolytica	Ran family GTPase	0.0049	0.0431	0.2945
Onchocerca volvulus		0.0103	0.122	0.152
Entamoeba histolytica	cysteine proteinase, putative	0.0057	0.0555	0.4054
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1872	0.2406
Trypanosoma cruzi	cruzipain precursor, putative	0.0031	0.0176	0.018
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.0371	0.0657
Trypanosoma brucei	importin beta-1 subunit, putative	0.0066	0.0686	0.316
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0308	0.4191	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0103	0.122	0.1129
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0057	0.0555	0.0458
Trichomonas vaginalis	importin beta-1, putative	0.0054	0.0503	0.0546
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0113	0.1367	0.3093
Brugia malayi	Inositol-1	0.0045	0.0371	0.0419
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0026	0.0102	0.0086
Plasmodium vivax	vivapain-2	0.0103	0.122	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0597	0.0582
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0115	0.0116
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.0371	0.0365
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Echinococcus granulosus	histone lysine methyltransferase setb	0.0067	0.0697	0.0601
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0103	0.122	0.152
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0016	0.5
Plasmodium falciparum	serine repeat antigen 9	0.0026	0.0102	0.0716
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0057	0.0555	0.448
Leishmania major	cysteine peptidase A (CPA)	0.0103	0.122	0.8826
Onchocerca volvulus	Cathepsin L homolog	0.0103	0.122	0.152
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0049	0.0431	0.2603
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0026	0.0102	0.0716
Brugia malayi	Cathepsin L-like precursor	0.0103	0.122	0.1742
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0103	0.122	0.1129
Plasmodium vivax	unspecified product	0.0031	0.0176	0.1328
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0597	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0176	0.016
Brugia malayi	Pre-SET motif family protein	0.0468	0.6517	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0057	0.0555	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0686	0.0671
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0115	0.2796
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0049	0.0431	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0057	0.0555	0.0616
Onchocerca volvulus		0.0103	0.122	0.152
Leishmania major	cathepsin L-like protease	0.0103	0.122	0.8826
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0026	0.0102	0.0716
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Plasmodium falciparum	serine repeat antigen 5	0.0026	0.0102	0.0716
Loa Loa (eye worm)	ctsf protein	0.0103	0.122	0.1206
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0115	0.0099
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Onchocerca volvulus		0.0103	0.122	0.152
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0067	0.0697	0.0601
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0045	0.0371	1
Echinococcus granulosus	geminin	0.0381	0.5255	0.5206
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0049	0.0431	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0026	0.0102	0.0716
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0026	0.0102	0.0716
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0049	0.0431	0.345
Echinococcus granulosus	cathepsin b	0.0308	0.4191	0.4131
Schistosoma mansoni	cathepsin F (C01 family)	0.0103	0.122	0.1129
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0026	0.0102	0.0716
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0049	0.0431	0.2603
Plasmodium vivax	vivapain-2	0.0103	0.122	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.0371	0.2041
Plasmodium falciparum	serine repeat antigen 8	0.0026	0.0102	0.0716
Plasmodium falciparum	serine repeat antigen 6	0.0026	0.0102	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0308	0.4191	0.4182
Trichomonas vaginalis	set domain proteins, putative	0.0532	0.7456	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0045	0.0371	0.0271
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0054	0.0503	0.0981
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0026	0.0102	0.0716
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0054	0.0503	0.0546
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0103	0.122	0.1129
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0026	0.0102	0.0716
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0115	0.2796
Echinococcus multilocularis	cysteine protease	0.0103	0.122	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0767	0.0752
Plasmodium vivax	vivapain-1	0.0057	0.0555	0.448
Schistosoma mansoni	ran	0.0049	0.0431	0.0333
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.122	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0102	0.0086
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0468	0.6517	0.6512
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0103	0.122	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.122	0.152
Plasmodium vivax	SET domain protein, putative	0.0067	0.0697	0.566
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0115	0.002
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.122	0.8525
Entamoeba histolytica	cysteine protease, putative	0.0057	0.0555	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0103	0.122	0.152
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0308	0.4191	0.4131

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 66.072 um	PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	> 150 um	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (binding)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 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)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	50.1187 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
Potency (functional)	89.1251 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

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: CHEMBL1415494

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1309048