TDR Targets

Basic information

Technical information

TDR Targets ID: 1420814
Name: propan-2-yl 2-[1-(phenylmethyl)pyrazolo[4,5-e ]pyrimidin-4-yl]sulfanylacetate
MW: 342.415 | Formula: C17H18N4O2S
H donors: 0 H acceptors: 4 LogP: 3.34 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(OC(=O)CSc1ncnc2c1cnn2Cc1ccccc1)C
InChi: 1S/C17H18N4O2S/c1-12(2)23-15(22)10-24-17-14-8-20-21(16(14)18-11-19-17)9-13-6-4-3-5-7-13/h3-8,11-12H,9-10H2,1-2H3
InChiKey: FKHQYZGGSQNOKA-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

isopropyl 2-[1-(phenylmethyl)pyrazolo[4,5-e]pyrimidin-4-yl]sulfanylacetate
2-[[1-(phenylmethyl)-4-pyrazolo[4,5-e]pyrimidinyl]thio]acetic acid isopropyl ester
2-[[1-(benzyl)pyrazolo[4,5-e]pyrimidin-4-yl]thio]acetic acid isopropyl ester
propan-2-yl 2-[1-(phenylmethyl)pyrazolo[4,5-e]pyrimidin-4-yl]sulfanylethanoate
ZINC04295452
MLS000041218
SMR000046919

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	360 aa	361 aa	33.2 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2292	0.2991
Echinococcus multilocularis	expressed protein	0.001	0.0024	0.0024
Echinococcus granulosus	snurportin 1	0.0673	0.7656	0.7656
Loa Loa (eye worm)	transcription factor SMAD2	0.0277	0.3096	0.4042
Onchocerca volvulus		0.003	0.0254	0.096
Schistosoma mansoni	Smad4	0.0008	0.0003	0.0003
Echinococcus granulosus	ferritin	0.001	0.0024	0.0024
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0407	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0233	0.2586	0.2586
Schistosoma mansoni	Smad4	0.0019	0.0123	0.0123
Onchocerca volvulus		0.0043	0.0407	0.1543
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0046	0.044	0.044
Brugia malayi	MAP kinase sur-1	0.0062	0.0615	0.1023
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.1242
Schistosoma mansoni	hypothetical protein	0.036	0.406	0.406
Schistosoma mansoni	cpg binding protein	0.003	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.001	0.0021	0.0021
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0615	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.001	0.0021	0.0021
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0264	0.2953	0.3854
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0254	0.0254
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0233	0.2586	0.2586
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0254	0.0254
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0233	0.2586	0.3376
Entamoeba histolytica	hypothetical protein	0.0051	0.0495	1
Loa Loa (eye worm)	kap beta 3 protein	0.0012	0.0043	0.0052
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0019	0.0123	0.0123
Echinococcus granulosus	mothers against decapentaplegic 2	0.0008	0.0003	0.0003
Trypanosoma brucei	importin beta-1 subunit, putative	0.0063	0.0632	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0407	0.0407
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0254	0.0254
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0527	0.5982	0.7813
Echinococcus multilocularis	GPCR, family 2	0.0167	0.1828	0.1828
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0407	0.1242
Trypanosoma brucei	importin beta-1 subunit, putative	0.0063	0.0632	1
Echinococcus granulosus	translational activator gcn1	0.0012	0.0043	0.0043
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Onchocerca volvulus		0.0236	0.2621	1
Schistosoma mansoni	apoferritin-2	0.001	0.0024	0.0024
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0615	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0063	0.0632	1
Schistosoma mansoni	ferritin	0.001	0.0024	0.0024
Echinococcus granulosus	mothers against decapentaplegic 5	0.0019	0.0123	0.0123
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0856	0.9769	0.9769
Echinococcus multilocularis	cpg binding protein	0.003	0.0253	0.0253
Brugia malayi	RNA binding protein	0.0263	0.2941	0.4914
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0046	0.044	0.6744
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.001	0.0021	0.003
Schistosoma mansoni	GTP-binding protein alpha subunit	0.001	0.0021	0.0021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0233	0.2586	0.2586
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.001	0.0021	0.0021
Echinococcus granulosus	importin 5	0.0012	0.0043	0.0043
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0407	0.0407
Brugia malayi	Latrophilin receptor protein 2	0.0167	0.1828	0.3053
Onchocerca volvulus		0.0043	0.0407	0.1543
Trichomonas vaginalis	hypothetical protein	0.0012	0.0043	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Echinococcus granulosus	expressed protein	0.001	0.0024	0.0024
Leishmania major	hypothetical protein, conserved	0.0043	0.0407	0.6361
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0019	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Loa Loa (eye worm)	TAR-binding protein	0.0263	0.2941	0.3839
Echinococcus multilocularis	smad	0.0019	0.0123	0.0123
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0235	0.0235
Brugia malayi	TAR-binding protein	0.0263	0.2941	0.4914
Loa Loa (eye worm)	nuclear factor I	0.001	0.0026	0.003
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0615	0.2026
Schistosoma mansoni	importin beta-1	0.0063	0.0632	0.0632
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0615	0.0615
Loa Loa (eye worm)	hypothetical protein	0.001	0.0021	0.0023
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0407	0.0407
Echinococcus multilocularis	transportin 1	0.0012	0.0043	0.0043
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.034	0.1026
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0407	1
Schistosoma mansoni	cpg binding protein	0.0028	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0527	0.5982	0.7813
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0167	0.1828	0.1828
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.034	0.0564
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0407	0.1316
Loa Loa (eye worm)	G protein alpha subunit 3	0.001	0.0021	0.0023
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.034	0.5046
Echinococcus granulosus	tumor protein p63	0.0392	0.4421	0.4421
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.001	0.0021	0.003
Toxoplasma gondii	exonuclease III APE	0.0038	0.034	0.5046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0233	0.2586	0.2586
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.034	0.1089
Mycobacterium ulcerans	lipase LipD	0.0043	0.0407	1
Echinococcus multilocularis	snurportin 1	0.0673	0.7656	0.7656
Schistosoma mansoni	hypothetical protein	0.0167	0.1828	0.1828
Onchocerca volvulus		0.0028	0.0234	0.0883
Brugia malayi	MH1 domain containing protein	0.001	0.0026	0.0039
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0615	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0615	0.0615
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0615	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.002	0.002
Schistosoma mansoni	importin-beta 2	0.0012	0.0043	0.0043
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.1242
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0407	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0019	0.0123	0.0157
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0615	0.08
Echinococcus granulosus	cpg binding protein	0.003	0.0253	0.0253
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0046	0.044	0.6744
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0263	0.2941	0.3839
Echinococcus multilocularis	tar DNA binding protein	0.0263	0.2941	0.2941
Schistosoma mansoni	ferritin	0.001	0.0024	0.0024
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1828	0.2385
Echinococcus granulosus	importin subunit beta 1	0.0063	0.0632	0.0632
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.001	0.0021	0.003
Plasmodium vivax	importin-beta 2, putative	0.0063	0.0632	1
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.001	0.0021	0.0021
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0046	0.044	0.6744
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0051	0.0495	0.5617
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0046	0.044	0.6744
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.003
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.034	0.1089
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0407	0.0675
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0407	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0407	0.0675
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.001	0.0021	0.0021
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0615	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0407	0.2427
Schistosoma mansoni	hypothetical protein	0.0876	1	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0046	0.044	0.3638
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.001	0.0021	0.0021
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.1242
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0167	0.1828	0.1828
Toxoplasma gondii	ABC1 family protein	0.0043	0.0407	0.6179
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.001	0.0021	0.0021
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0234	0.0302
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.001	0.0021	0.0021
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0264	0.2953	0.4933
Entamoeba histolytica	HEAT repeat domain containing protein	0.0012	0.0043	0.0468
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0407	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0407	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0567	0.0737
Brugia malayi	beta-lactamase family protein	0.0043	0.0407	0.0675
Loa Loa (eye worm)	RNA binding protein	0.0263	0.2941	0.3839
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0012	0.0043	0.0052
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0615	0.2026
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.001	0.0021	0.0023
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0407	0.6179
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0046	0.044	0.3638
Schistosoma mansoni	hypothetical protein	0.0167	0.1828	0.1828
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.002	0.002
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0046	0.044	0.0731
Brugia malayi	RNA recognition motif domain containing protein	0.0263	0.2941	0.4914
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0615	0.2026
Leishmania major	importin beta-1 subunit, putative	0.0051	0.0495	0.7894
Brugia malayi	MH2 domain containing protein	0.0277	0.3096	0.5173
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.034	0.5046
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.001	0.0021	0.0021
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0254	0.0254
Brugia malayi	MH2 domain containing protein	0.0019	0.0123	0.0201
Schistosoma mansoni	smad	0.0008	0.0003	0.0003
Onchocerca volvulus		0.001	0.0021	0.0069
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.001	0.0021	0.0021
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0046	0.044	0.044
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0407	0.0407
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0615	0.9713
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.001	0.0021	0.0023
Brugia malayi	MH1 domain containing protein	0.0019	0.0123	0.0201
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.001	0.0021	0.0021
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0407	0.1242
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.034	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.054	0.8446
Echinococcus multilocularis	geminin	0.0876	1	1
Brugia malayi	kap beta 3 protein	0.0012	0.0043	0.0067
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.001	0.0021	0.0021
Brugia malayi	MH1 domain containing protein	0.0019	0.0123	0.0201
Echinococcus multilocularis	ferritin	0.001	0.0024	0.0024
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0123	0.0123
Loa Loa (eye worm)	MH2 domain-containing protein	0.0277	0.3096	0.4042
Loa Loa (eye worm)	hypothetical protein	0.003	0.0254	0.0328
Brugia malayi	RNA, U transporter 1	0.0179	0.197	0.329
Schistosoma mansoni	hypothetical protein	0.0876	1	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0254	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0632	0.0822
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0407	1
Schistosoma mansoni	ap endonuclease	0.0038	0.034	0.034
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0407	0.1242
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0233	0.2586	0.2586
Brugia malayi	latrophilin 2 splice variant baaae	0.036	0.406	0.6785
Brugia malayi	Smad1	0.0019	0.0123	0.0201
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0167	0.1828	0.1828
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.001	0.0021	0.003
Schistosoma mansoni	Smad4	0.0008	0.0003	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0019	0.0123	0.0123
Brugia malayi	G-protein alpha subunit	0.001	0.0021	0.003
Loa Loa (eye worm)	MH1 domain-containing protein	0.0019	0.0123	0.0157
Echinococcus granulosus	transportin 1	0.0012	0.0043	0.0043
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0407	0.1316
Schistosoma mansoni	ferritin light chain	0.001	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.001	0.0021	0.0023
Schistosoma mansoni	cpg binding protein	0.003	0.0253	0.0253
Giardia lamblia	Kinase, CMGC MAPK	0.0062	0.0615	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0051	0.0495	0.1615
Echinococcus granulosus	expressed protein	0.001	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Trichomonas vaginalis	ran, putative	0.0046	0.044	0.143
Echinococcus multilocularis	tumor protein p63	0.0392	0.4421	0.4421
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.034	0.0441
Brugia malayi	MH1 domain containing protein	0.001	0.0026	0.0039
Echinococcus granulosus	GPCR family 2	0.0167	0.1828	0.1828
Echinococcus granulosus	tar DNA binding protein	0.0263	0.2941	0.2941
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.001	0.0021	0.0023
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.001	0.0021	0.0023
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2621	0.8867
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0167	0.1828	0.2385
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0234	0.0387
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0167	0.1828	0.3053
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0615	1
Schistosoma mansoni	smad	0.0019	0.0123	0.0123
Echinococcus multilocularis	Smad4	0.0019	0.0123	0.0123
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.001	0.0021	0.0021
Onchocerca volvulus		0.001	0.0021	0.0069
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0233	0.2586	0.2586
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0527	0.5982	1
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.001	0.0021	0.0021
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0407	0.0528
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0407	0.1316
Schistosoma mansoni	hypothetical protein	0.0673	0.7656	0.7656
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0615	0.2026
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.001	0.0021	0.0021
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.034	0.6741
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.001	0.0021	0.0021
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0407	0.1242
Loa Loa (eye worm)	histone methyltransferase	0.001	0.002	0.0022
Onchocerca volvulus		0.001	0.0021	0.0069
Schistosoma mansoni	ap endonuclease	0.0038	0.034	0.034
Onchocerca volvulus		0.0043	0.0407	0.1543
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0615	0.9713
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0254	0.3586
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0051	0.0495	0.1615
Trypanosoma brucei	protein kinase, putative	0.0062	0.0615	0.9713
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0254	0.0254
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.001	0.0021	0.003
Leishmania major	GTP-binding protein, putative	0.0046	0.044	0.6943
Trypanosoma brucei	ULK family serine/threonine-protein kinase, putative	0.0012	0.005	0.0109
Onchocerca volvulus		0.0057	0.0567	0.2154
Brugia malayi	Importin beta-1 subunit	0.0063	0.0632	0.1052
Echinococcus multilocularis	expressed protein	0.001	0.0021	0.0021
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0167	0.1828	0.1828
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.001	0.0021	0.0021
Schistosoma mansoni	ran	0.0046	0.044	0.044
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0407	0.2427
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.2013	0.6793
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0233	0.2586	0.2586
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.2953	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.034	0.034
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.001	0.0021	0.003
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0615	1
Loa Loa (eye worm)	Smad1	0.0019	0.0123	0.0157
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.001	0.0021	0.003
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0407	0.1242
Brugia malayi	Pre-SET motif family protein	0.0207	0.2292	0.3828
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0254	0.0254
Echinococcus multilocularis	importin 5	0.0012	0.0043	0.0043
Echinococcus multilocularis	importin subunit beta 1	0.0063	0.0632	0.0632
Echinococcus multilocularis	translational activator gcn1	0.0012	0.0043	0.0043
Schistosoma mansoni	GTP-binding protein alpha subunit	0.001	0.0021	0.0021
Brugia malayi	hypothetical protein	0.001	0.0021	0.003
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0407	0.1316
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.034	0.8259
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.034	1
Schistosoma mansoni	tar DNA-binding protein	0.0263	0.2941	0.2941
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.034	0.034
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0527	0.5982	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0407	0.1242
Schistosoma mansoni	tar DNA-binding protein	0.0263	0.2941	0.2941
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.034	0.5046
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0673	0.7656	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3107	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0254	0.3586
Schistosoma mansoni	apoferritin-2	0.001	0.0024	0.0024
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.001	0.0021	0.003
Onchocerca volvulus	Glucosylceramidase homolog	0.0173	0.1905	0.7266
Brugia malayi	beta-lactamase	0.0043	0.0407	0.0675
Entamoeba histolytica	Ran family GTPase	0.0046	0.044	0.8852
Schistosoma mansoni	tar DNA-binding protein	0.0263	0.2941	0.2941
Schistosoma mansoni	ferritin light chain	0.001	0.0024	0.0024
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0407	0.6179
Loa Loa (eye worm)	hypothetical protein	0.036	0.406	0.5301
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.001	0.0021	0.0021
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.2013	0.6793
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0615	0.0615
Schistosoma mansoni	hypothetical protein	0.0167	0.1828	0.1828
Schistosoma mansoni	ferritin	0.001	0.0024	0.0024
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0123	0.0123
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0407	0.1316
Plasmodium falciparum	importin beta, putative	0.0063	0.0632	1
Schistosoma mansoni	hypothetical protein	0.0167	0.1828	0.1828
Loa Loa (eye worm)	hypothetical protein	0.001	0.0021	0.0023
Echinococcus granulosus	mothers against decapentaplegic 6	0.0008	0.0003	0.0003
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.001	0.0021	0.0021
Echinococcus granulosus	Smad4	0.0019	0.0123	0.0123
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0615	0.0615
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0021	0.0023
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0019	0.0123	0.0123
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.001	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.0528
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0567	0.0567
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.034	0.5195
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0019	0.0123	0.0123
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0046	0.044	0.0571
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0046	0.044	0.3638
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1905	0.6426
Brugia malayi	Pre-SET motif family protein	0.003	0.0254	0.042
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0407	0.1242
Schistosoma mansoni	tar DNA-binding protein	0.0263	0.2941	0.2941
Trichomonas vaginalis	esterase, putative	0.0043	0.0407	0.1316
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.001	0.0021	0.0021
Schistosoma mansoni	smad1 5 8 and	0.0019	0.0123	0.0123
Schistosoma mansoni	ferritin	0.001	0.0024	0.0024
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.001	0.0021	0.003
Trichomonas vaginalis	importin beta-1, putative	0.0051	0.0495	0.1615
Brugia malayi	MH2 domain containing protein	0.0019	0.0123	0.0201
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0233	0.2586	0.432
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0615	0.0615
Trichomonas vaginalis	ferritin, putative	0.001	0.0024	0.001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0021	0.0023
Schistosoma mansoni	ran	0.0046	0.044	0.044
Schistosoma mansoni	tar DNA-binding protein	0.0263	0.2941	0.2941
Echinococcus granulosus	smad	0.0019	0.0123	0.0123

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 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)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

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: CHEMBL1573215

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1420814