TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.971 | Formula: C23H31ClN4O
H donors: 1 H acceptors: 3 LogP: 4.31 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]1CN(CC2CCCCC2)[C@H](C[C@@H]1n1nnc(c1)C1CC1)c1ccc(cc1)Cl
InChi: 1S/C23H31ClN4O/c24-19-10-8-18(9-11-19)21-12-22(28-14-20(25-26-28)17-6-7-17)23(29)15-27(21)13-16-4-2-1-3-5-16/h8-11,14,16-17,21-23,29H,1-7,12-13,15H2/t21-,22+,23+/m1/s1
InChiKey: FRBFSROABWDIGK-VJBWXMMDSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

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 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.005	0.0051	0.0051
Echinococcus granulosus	survival motor neuron protein 1	0.0268	0.0376	0.0376
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0293	0.0413	1
Mycobacterium ulcerans	oxidoreductase	0.0028	0.0019	0.0014
Brugia malayi	SWIRM domain containing protein	0.0151	0.0201	0.0201
Brugia malayi	jmjC domain containing protein	0.0059	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0183	0.0183
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0019	0.0032
Leishmania major	hypothetical protein, conserved	0.003	0.0022	0.0038
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0087	0.0106	0.1116
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0104	0.0132	0.0132
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0035	0.003
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0057	0.0061	0.0105
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0104	0.0132	0.0228
Onchocerca volvulus		0.0039	0.0035	0.0073
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0064	0.0064
Mycobacterium tuberculosis	Possible oxidoreductase	0.0028	0.0019	0.0014
Entamoeba histolytica	hypothetical protein	0.0041	0.0037	0.08
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0059	0.0059
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0028	0.0019	0.0032
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0005	0.0008
Schistosoma mansoni	hypothetical protein	0.005	0.0051	0.0051
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0005
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0035	0.003
Onchocerca volvulus		0.0055	0.0058	0.0192
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0058	0.0058
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.6743	1	1
Schistosoma mansoni	folylpolyglutamate synthase	0.0104	0.0132	0.0132
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.3903	0.5778	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0028	0.0019	0.0014
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0021	0.0021
Mycobacterium ulcerans	lipase LipD	0.0039	0.0035	0.003
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0035	0.0035
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Brugia malayi	prolyl oligopeptidase family protein	0.0168	0.0227	0.0227
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0035	0.003
Loa Loa (eye worm)	hypothetical protein	0.0151	0.0201	0.0201
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0104	0.0132	0.0228
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0028	0.0019	0.0019
Echinococcus multilocularis		0.0028	0.0019	0.0019
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0168	0.0227	0.0227
Loa Loa (eye worm)	glutaminase 2	0.0549	0.0793	0.0793
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0057	0.0061	0.0061
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0035	0.0061
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.3903	0.5778	1
Loa Loa (eye worm)	FolC protein	0.0104	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Giardia lamblia	Histone acetyltransferase GCN5	0.008	0.0095	0.2221
Echinococcus multilocularis	thymidylate synthase	0.1324	0.1945	0.1945
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0014
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0035	0.003
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0035	0.003
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0019	0.0019
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0022	0.0038
Onchocerca volvulus		0.0055	0.0058	0.0192
Brugia malayi	thymidylate synthase	0.1324	0.1945	0.1945
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0035	0.0335
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0191	0.0191
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0016	0.0016
Loa Loa (eye worm)	thymidylate synthase	0.1324	0.1945	0.1945
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0058	0.0058
Onchocerca volvulus		0.0039	0.0035	0.0073
Brugia malayi	hypothetical protein	0.0043	0.0041	0.0041
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0168	0.0227	0.107
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0138	0.0138
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0035	0.003
Brugia malayi	Dihydrofolate reductase	0.6743	1	1
Brugia malayi	hypothetical protein	0.0268	0.0376	0.0376
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0035	0.003
Schistosoma mansoni	glutaminase	0.0549	0.0793	0.0793
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0035	0.0335
Brugia malayi	hypothetical protein	0.002	0.0006	0.0006
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.0064	0.0064
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0104	0.0132	0.0132
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0087	0.0106	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0005
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0021	0.0021
Brugia malayi	glutaminase DH11.1	0.0549	0.0793	0.0793
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0051	0.0051
Echinococcus multilocularis	musashi	0.0055	0.0058	0.0058
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0005	0.0008
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0035	0.003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0252	0.0351	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0035	0.0335
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0057	0.0061	0.0105
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0057	0.0061	0.0105
Echinococcus granulosus	intermediate filament protein	0.0055	0.0058	0.0058
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0087	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0041	0.0037	0.0037
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0035	0.0035
Schistosoma mansoni	ap endonuclease	0.0019	0.0005	0.0005
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0028	0.0019	0.0014
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0028	0.0019	0.0032
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0035	0.0061
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0104	0.0132	0.1397
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0139	0.0183	0.0183
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0168	0.0227	0.0227
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0005	0.0008
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0168	0.0227	0.0227
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0028	0.0019	0.0014
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0035	0.0017
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0059	0.0059
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0288	0.0405	0.0405
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0104	0.0132	0.0228
Schistosoma mansoni	lamin	0.0055	0.0058	0.0058
Plasmodium falciparum	protoporphyrinogen oxidase	0.0028	0.0019	0.0032
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1713	0.2522	0.2522
Toxoplasma gondii	histone lysine-specific demethylase	0.0028	0.0019	0.0032
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0296	0.0417	0.0417
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.0064	0.0064
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0058	0.0058
Echinococcus multilocularis	survival motor neuron protein 1	0.0268	0.0376	0.0376
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0021	0.0021
Leishmania major	hypothetical protein, conserved	0.0039	0.0035	0.0061
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0016	0.0016
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0035	0.0035
Brugia malayi	amine oxidase, flavin-containing family protein	0.004	0.0036	0.0036
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0059	0.0059
Brugia malayi	acetyltransferase, GNAT family protein	0.0296	0.0417	0.0417
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.3903	0.5778	1
Onchocerca volvulus		0.1324	0.1945	1
Chlamydia trachomatis	dihydrofolate reductase	0.6743	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.063	0.0913	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0037	0.0037
Entamoeba histolytica	hypothetical protein	0.0041	0.0037	0.08
Loa Loa (eye worm)	hypothetical protein	0.003	0.0022	0.0022
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0022	0.0038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0059	0.0059
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0021	0.0021
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0035	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0183	0.0183
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0022	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0014
Echinococcus multilocularis	lamin dm0	0.0055	0.0058	0.0058
Toxoplasma gondii	ABC1 family protein	0.0039	0.0035	0.0061
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0104	0.0132	0.0228
Entamoeba histolytica	hypothetical protein	0.0041	0.0037	0.08
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1324	0.1945	0.1941
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0022	0.0038
Loa Loa (eye worm)	hypothetical protein	0.004	0.0036	0.0036
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0139	0.0183	0.0183
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0104	0.0132	0.0113
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0059	0.0059
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0035	0.003
Mycobacterium ulcerans	glutaminase	0.0549	0.0793	0.0788
Brugia malayi	FolC bifunctional protein	0.0104	0.0132	0.0132
Mycobacterium ulcerans	dehydrogenase	0.0028	0.0019	0.0014
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0296	0.0417	0.0417
Brugia malayi	prolyl oligopeptidase family protein	0.0057	0.0061	0.0061
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0057	0.0057
Onchocerca volvulus		0.0238	0.033	0.1605
Brugia malayi	hypothetical protein	0.003	0.0022	0.0022
Brugia malayi	intermediate filament protein	0.0055	0.0058	0.0058
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0028	0.0019	0.0019
Onchocerca volvulus		0.0151	0.0201	0.0934
Echinococcus granulosus	lamin dm0	0.0055	0.0058	0.0058
Schistosoma mansoni	hypothetical protein	0.005	0.0051	0.0051
Plasmodium vivax	SET domain protein, putative	0.003	0.0021	0.0037
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0005	0.0008
Treponema pallidum	fructose-bisphosphate aldolase	0.0293	0.0413	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0028	0.0019	0.0019
Mycobacterium tuberculosis	Hypothetical protein	0.063	0.0913	0.0909
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0064	0.0064
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0139	0.0183	0.0183
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0005	0.0005
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0035	0.0035
Loa Loa (eye worm)	dihydrofolate reductase	0.6743	1	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0035	0.003
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.0287	0.0287
Loa Loa (eye worm)	acetyltransferase	0.0296	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.003	0.0021	0.0021
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0104	0.0132	0.311
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0143	0.019	0.0171
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0022	0.0038
Schistosoma mansoni	dihydrofolate reductase	0.6743	1	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0213	0.0213
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0376	0.0376
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0059	0.0059
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0035	0.0335
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0143	0.019	0.0185
Brugia malayi	beta-lactamase family protein	0.0039	0.0035	0.0035
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0087	0.0106	0.1116
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0022	0.0038
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0035	0.0061
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Echinococcus multilocularis	geminin	0.0704	0.1023	0.1023
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0028	0.0019	0.0032
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0058	0.0058
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0028	0.0019	0.0032
Schistosoma mansoni	hypothetical protein	0.0109	0.0138	0.0138
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0035	0.003
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0059	0.0059
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0057	0.0061	0.0105
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0051	0.0051
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.3903	0.5778	1
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0104	0.0132	0.0127
Trichomonas vaginalis	esterase, putative	0.0039	0.0035	0.0335
Echinococcus multilocularis	lamin	0.0055	0.0058	0.0058
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0028	0.0019	0.0032
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0059	0.0059
Echinococcus granulosus	lamin	0.0055	0.0058	0.0058
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0293	0.0413	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Echinococcus multilocularis	dihydrofolate reductase	0.6743	1	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1324	0.1945	0.1945
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0293	0.0413	0.4491
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.002	0.002
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0035	0.0017
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0005	0.0008
Echinococcus granulosus	thymidylate synthase	0.1324	0.1945	0.1945
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0087	0.0106	0.0184
Echinococcus granulosus	dihydrofolate reductase	0.6743	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0035	0.003
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0035	0.0035
Brugia malayi	hypothetical protein	0.0028	0.0019	0.0019
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0057	0.0061	0.0061
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0057	0.0061	0.0105
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0028	0.0019	0.0032
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0051	0.0051
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0104	0.0132	0.0127
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0005	0.0005
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0028	0.0019	0.0032
Onchocerca volvulus		0.0039	0.0035	0.0073
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0035	0.0335
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1324	0.1945	0.193
Entamoeba histolytica	hypothetical protein	0.0041	0.0037	0.08
Mycobacterium ulcerans	monoamine oxidase	0.0028	0.0019	0.0014
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0064	0.0064
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.063	0.0913	0.158
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0104	0.0132	0.0228
Plasmodium falciparum	histone acetyltransferase GCN5	0.008	0.0095	0.0165
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0159	0.0213	0.0213
Brugia malayi	Pre-SET motif family protein	0.0209	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0019
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0057	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0016	0.0016
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0058	0.0058
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0022	0.0038
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0104	0.0132	0.0132
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0051	0.0051
Trichomonas vaginalis	glutaminase, putative	0.0549	0.0793	0.8676
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0087	0.0106	0.0184
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0021	0.0021
Echinococcus multilocularis	GPCR, family 2	0.005	0.0051	0.0051
Schistosoma mansoni	hypothetical protein	0.0704	0.1023	0.1023
Schistosoma mansoni	hypothetical protein	0.005	0.0051	0.0051
Brugia malayi	Pre-SET motif family protein	0.003	0.0021	0.0021
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0035	0.003
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0005	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.0064	0.0064
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0051	0.0051
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.6743	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0059	0.0059
Loa Loa (eye worm)	prolyl oligopeptidase	0.0168	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.005	0.0051	0.0051
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0104	0.0132	0.0228
Echinococcus granulosus	GPCR family 2	0.005	0.0051	0.0051
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0058	0.0058
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0051	0.0051
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0019	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0041	0.0041
Entamoeba histolytica	acetyltransferase, GNAT family	0.008	0.0095	0.2221
Brugia malayi	jmjC domain containing protein	0.0059	0.0064	0.0064
Schistosoma mansoni	hypothetical protein	0.0704	0.1023	0.1023
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0028	0.0019	0.0014
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0143	0.019	0.0185
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.033	0.3581
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.002	0.002
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0191	0.0191
Schistosoma mansoni	amine oxidase	0.0028	0.0019	0.0019
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.0064	0.0064
Leishmania major	UDP-galactopyranose mutase	0.0028	0.0019	0.0032
Brugia malayi	MH2 domain containing protein	0.0144	0.0191	0.0191
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0035	0.0035
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0035	0.003
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0104	0.0132	0.0574
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.0064	0.0064
Brugia malayi	hypothetical protein	0.063	0.0913	0.0913
Loa Loa (eye worm)	glutaminase	0.0549	0.0793	0.0793
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0021	0.0037
Onchocerca volvulus		0.0055	0.0058	0.0192
Schistosoma mansoni	lamin	0.0055	0.0058	0.0058
Schistosoma mansoni	amine oxidase	0.0028	0.0019	0.0019
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0005	0.0008
Brugia malayi	latrophilin 2 splice variant baaae	0.0109	0.0138	0.0138
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0104	0.0132	0.0132
Leishmania major	folylpolyglutamate synthetase	0.0104	0.0132	0.0228
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0035	0.0035
Giardia lamblia	Fructose-bisphosphate aldolase	0.0293	0.0413	1
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0057	0.0061	0.0105
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0037	0.0037
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.6743	1	1
Brugia malayi	beta-lactamase	0.0039	0.0035	0.0035
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0159	0.0213	0.0213
Toxoplasma gondii	exonuclease III APE	0.0019	0.0005	0.0008
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0037	0.0037
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0005	0.0005
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.3903	0.5778	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.3903	0.5778	1
Echinococcus granulosus	geminin	0.0704	0.1023	0.1023
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0159	0.0213	0.0213
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0037	0.0037
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0058	0.0058
Brugia malayi	beta-lactamase family protein	0.0039	0.0035	0.0035
Mycobacterium ulcerans	thymidylate synthase	0.1324	0.1945	0.1941
Schistosoma mansoni	hypothetical protein	0.0055	0.0058	0.0058

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1890528

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1538472