TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.722 | Formula: C31H36N6OS
H donors: 0 H acceptors: 4 LogP: 6.53 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc2c(n1)cccc2c1nnc(n1C)SCCCN1CCc2c(CC1)cc1c(c2)oc(n1)C(C)(C)C
InChi: 1S/C31H36N6OS/c1-20-10-11-23-24(8-6-9-25(23)32-20)28-34-35-30(36(28)5)39-17-7-14-37-15-12-21-18-26-27(19-22(21)13-16-37)38-29(33-26)31(2,3)4/h6,8-11,18-19H,7,12-17H2,1-5H3
InChiKey: IOJIPFCHEXMFMJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H1	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0146	0.0572	0.956
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0091	0.0086
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.0581	0.0549
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0243	0.0404
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0055	0.0368
Trypanosoma brucei	unspecified product	0.0098	0.0346	0.0624
Schistosoma mansoni	hypothetical protein	0.0514	0.2323	0.2297
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0243	0.0404
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0151	0.0595	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0034	0.0029
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0077	0.0048
Echinococcus granulosus	cytidine deaminase	0.0055	0.0141	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0242	0.1033	0.6974
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0151	0.0595	0.5711
Trypanosoma cruzi	thymidylate kinase, putative	0.0151	0.0595	0.1158
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.0535	0.1028
Loa Loa (eye worm)	glycogen phosphorylase	0.0337	0.1481	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0435	0.2935
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.037	0.2497
Brugia malayi	intermediate filament protein	0.0055	0.014	0.0829
Echinococcus multilocularis	thymidylate kinase	0.0151	0.0595	0.0591
Giardia lamblia	Thymidine kinase	0.1018	0.4725	0.7796
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.011	0.0076
Onchocerca volvulus		0.0055	0.0141	0.0609
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0034	0.0029
Leishmania major	cytidine deaminase-like protein	0.0055	0.0141	0.0186
Trypanosoma brucei	cytidine deaminase	0.0055	0.0141	0.0186
Brugia malayi	hypothetical protein	0.0037	0.0054	0.0245
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0243	0.021
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0077	0.0243	0.349
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0148	0.0581	0.0577
Trypanosoma brucei	ingi protein (ORF1)	0.0098	0.0346	0.0624
Treponema pallidum	thymidylate kinase (tmk)	0.0151	0.0595	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0034	0.0231
Echinococcus multilocularis	glycogen phosphorylase	0.0337	0.1481	0.1477
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0034	0.0029
Schistosoma mansoni	thymidylate kinase	0.0151	0.0595	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0055	0.014	0.0944
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0034	0.0029
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0098	0.0346	0.0624
Echinococcus multilocularis	thymidine kinase	0.2126	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0063	0.0424
Schistosoma mansoni	hypothetical protein	0.0049	0.0114	0.008
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0019	0.0126
Echinococcus multilocularis	lamin dm0	0.0055	0.014	0.0135
Schistosoma mansoni	hypothetical protein	0.0109	0.0398	0.0365
Echinococcus multilocularis	geminin	0.0514	0.2323	0.2319
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0069	0.0205	0.159
Toxoplasma gondii	LsmAD domain-containing protein	0.0101	0.0362	0.5676
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0077	0.0245	0.0408
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0319	0.0314
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0034	0.0106
Echinococcus granulosus	lamin	0.0055	0.014	0.0135
Schistosoma mansoni	ap endonuclease	0.0077	0.0245	0.0211
Mycobacterium ulcerans	cytidine deaminase	0.0055	0.0141	0.1606
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Brugia malayi	RNase H family protein	0.0087	0.0295	0.1889
Chlamydia trachomatis	glycogen phosphorylase	0.0337	0.1481	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0055	0.002
Schistosoma mansoni	glycogen phosphorylase	0.0337	0.1481	0.1452
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Schistosoma mansoni	ap endonuclease	0.0077	0.0245	0.0211
Trypanosoma cruzi	ribonuclease H1, putative	0.0087	0.0295	0.0515
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0337	0.1481	0.3055
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0214	0.1339
Toxoplasma gondii	cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein	0.0055	0.0141	0.1606
Leishmania major	hypothetical protein, conserved	0.0059	0.016	0.0226
Brugia malayi	Inositol-1	0.0077	0.0243	0.1536
Entamoeba histolytica	Thymidylate kinase, putative	0.0151	0.0595	0.1158
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0077	0.0245	0.352
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.014	0.0829
Echinococcus multilocularis	ribonuclease H1	0.0087	0.0295	0.029
Schistosoma mansoni	hypothetical protein	0.0514	0.2323	0.2297
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Brugia malayi	beta-lactamase	0.0037	0.0055	0.0246
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0319	0.2154
Entamoeba histolytica	glycogen phosphorylase, putative	0.0146	0.0572	0.1107
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0077	0.0245	0.0408
Loa Loa (eye worm)	thymidylate kinase	0.0151	0.0595	0.402
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.014	0.0944
Trypanosoma brucei	RNA helicase, putative	0.0472	0.2125	0.4433
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0337	0.1481	0.1477
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0077	0.0245	0.0408
Brugia malayi	thymidylate kinase	0.0151	0.0595	0.3944
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0077	0.0245	0.024
Trypanosoma cruzi	thymidylate kinase, putative	0.0151	0.0595	0.1158
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0087	0.0295	0.1467
Giardia lamblia	Deoxynucleoside kinase	0.1291	0.6021	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0077	0.0245	0.024
Trypanosoma brucei	thymidylate kinase, putative	0.0151	0.0595	0.1158
Trypanosoma cruzi	cytidine deaminase-like protein, putative	0.0055	0.0141	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Brugia malayi	carbohydrate phosphorylase	0.0337	0.1481	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0034	0.0106
Schistosoma mansoni	thymidylate kinase	0.0151	0.0595	0.0563
Echinococcus multilocularis	musashi	0.0055	0.014	0.0135
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0055	0.002
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0243	0.0404
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0138	0.0535	0.1028
Echinococcus granulosus	thymidylate kinase	0.0151	0.0595	0.0591
Giardia lamblia	Hypothetical protein	0.0138	0.0535	0.0669
Brugia malayi	exodeoxyribonuclease III family protein	0.0077	0.0245	0.1547
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0055	0.005
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0077	0.0245	0.0408
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.011	0.0076
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0045	0.0095	0.0091
Entamoeba histolytica	glycogenphosphorylase, putative	0.0146	0.0572	0.1107
Leishmania major	thymidylate kinase-like protein	0.0151	0.0595	0.1158
Schistosoma mansoni	phosphoglucomutase	0.0087	0.0295	0.0262
Echinococcus multilocularis	solute carrier family 28	0.0353	0.156	0.1556
Echinococcus granulosus	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0138	0.0535	0.053
Schistosoma mansoni	hypothetical protein	0.0037	0.0054	0.002
Trypanosoma brucei	ingi protein (ORF1)	0.0098	0.0346	0.0624
Mycobacterium leprae	PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE)	0.0055	0.0141	0.1606
Trichomonas vaginalis	thymidine kinase, putative	0.1018	0.4725	1
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0059	0.016	0.0226
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0091	0.0613
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0319	0.0286
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.1002	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0137	0.0529	0.0524
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0091	0.0494
Schistosoma mansoni	phosphoglucomutase	0.0087	0.0295	0.0262
Echinococcus granulosus	lamin dm0	0.0055	0.014	0.0135
Schistosoma mansoni	hypothetical protein	0.0045	0.0095	0.0061
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0054	0.002
Entamoeba histolytica	cytidine deaminase, putative	0.0055	0.0141	0.0186
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0114	0.008
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0319	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0135	0.0912
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0167	0.2071
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.2126	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0167	0.2071
Echinococcus granulosus	Glycosyl transferase family 35	0.0337	0.1481	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0103	0.037	0.2497
Entamoeba histolytica	glycogen phosphorylase, putative	0.0337	0.1481	0.3055
Brugia malayi	beta-lactamase family protein	0.0037	0.0055	0.0246
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0138	0.0535	0.0502
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0319	0.0314
Echinococcus multilocularis	glycogen phosphorylase	0.0337	0.1481	0.1477
Trichomonas vaginalis	thymidine kinase, putative	0.1018	0.4725	1
Echinococcus granulosus	intermediate filament protein	0.0055	0.014	0.0135
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0034	0.0029
Trichomonas vaginalis	thymidylate kinase, putative	0.0151	0.0595	0.1158
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0243	0.0404
Brugia malayi	beta-lactamase family protein	0.0037	0.0055	0.0246
Trichomonas vaginalis	ap endonuclease, putative	0.0077	0.0245	0.0408
Entamoeba histolytica	glycogen phosphorylase, putative	0.0146	0.0572	0.1107
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Onchocerca volvulus		0.0055	0.0141	0.0609
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Plasmodium vivax	thymidylate kinase, putative	0.0151	0.0595	1
Echinococcus multilocularis	cytidine deaminase	0.0055	0.0141	0.0137
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1649	0.7727	0.7726
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.0535	0.1028
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0167	0.0133
Schistosoma mansoni	glycogen phosphorylase	0.0337	0.1481	0.1452
Brugia malayi	MH2 domain containing protein	0.0117	0.0435	0.2845
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.0535	0.1028
Schistosoma mansoni	intermediate filament proteins	0.0055	0.014	0.0106
Brugia malayi	RNase H family protein	0.0087	0.0295	0.1889
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Echinococcus granulosus	ribonuclease H1	0.0087	0.0295	0.029
Giardia lamblia	CDC8	0.0151	0.0595	0.0772
Trypanosoma cruzi	thymidine kinase, putative	0.1018	0.4725	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0077	0.0245	0.0045
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0167	0.0162
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0151	0.0595	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0057	0.0148	0.0144
Trichomonas vaginalis	cytidine deaminase, putative	0.0055	0.0141	0.0186
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0167	0.0162
Entamoeba histolytica	thymidine kinase, putative	0.1018	0.4725	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0087	0.0295	0.0515
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0243	0.021
Trypanosoma cruzi	PAB1-binding protein , putative	0.0101	0.0362	0.0657
Schistosoma mansoni	hypothetical protein	0.0137	0.0529	0.0496
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0055	0.005
Echinococcus multilocularis	survival motor neuron protein 1	0.0242	0.1033	0.1029
Schistosoma mansoni	glycogen phosphorylase	0.0146	0.0572	0.0539
Brugia malayi	cytidine deaminase, identical	0.0055	0.0141	0.0839
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0005	0.0032
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.014	0.0944
Brugia malayi	hypothetical protein	0.0065	0.019	0.1175
Trichomonas vaginalis	ap endonuclease, putative	0.0077	0.0245	0.0408
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0137	0.0529	0.0524
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0243	0.0404
Echinococcus multilocularis	transfer RNA-Ile	0.2126	1	1
Mycobacterium tuberculosis	Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase)	0.0055	0.0141	0.0917
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0055	0.0368
Schistosoma mansoni	hypothetical protein	0.0071	0.0214	0.0181
Giardia lamblia	Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative	0.0138	0.0535	0.0669
Echinococcus granulosus	glycogen phosphorylase	0.0337	0.1481	0.1477
Toxoplasma gondii	ribonuclease HI protein	0.0087	0.0295	0.4445
Schistosoma mansoni	lamin	0.0055	0.014	0.0106
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0077	0.0245	0.0408
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0045	0.0095	0.0091
Trichomonas vaginalis	ribonuclease H1, putative	0.0087	0.0295	0.0515
Schistosoma mansoni	thymidine kinase	0.2126	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.037	0.2401
Echinococcus multilocularis	inositol monophosphatase 1	0.0077	0.0243	0.0239
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.0535	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0362	0.2441
Trichomonas vaginalis	inositol monophosphatase, putative	0.0077	0.0243	0.0404
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.0535	0.1028
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0138	0.0535	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0034	0.0231
Mycobacterium ulcerans	thymidylate kinase	0.0151	0.0595	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0101	0.0362	0.3327
Schistosoma mansoni	hypothetical protein	0.0151	0.0595	0.0563
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0138	0.0535	0.1028
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0091	0.0086
Trichomonas vaginalis	thymidine kinase, putative	0.1018	0.4725	1
Trypanosoma brucei	thymidine kinase	0.1018	0.4725	1
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.0353	0.156	0.1556
Leishmania major	thymidine kinase, putative	0.1018	0.4725	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0214	0.1448
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0069	0.0205	0.2784
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0167	0.1183
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0167	0.2071
Trypanosoma brucei	ribonuclease H1	0.0087	0.0295	0.0515
Giardia lamblia	Hypothetical protein	0.0138	0.0535	0.0669
Trypanosoma brucei	hypothetical protein, conserved	0.0098	0.0346	0.0624
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0167	0.2071
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0167	0.0133
Schistosoma mansoni	lamin	0.0055	0.014	0.0106
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0319	0.2054
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0077	0.0245	0.0176
Schistosoma mansoni	hypothetical protein	0.0472	0.2125	0.2098
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0077	0.0048
Loa Loa (eye worm)	deoxynucleoside kinase	0.0138	0.0535	0.361
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Echinococcus multilocularis	thymidine kinase	0.2126	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0101	0.0362	0.3327
Echinococcus granulosus	GPCR family 2	0.0033	0.0034	0.0029
Entamoeba histolytica	glycogen phosphorylase, putative	0.0337	0.1481	0.3055
Loa Loa (eye worm)	inositol-1	0.0077	0.0243	0.1643
Echinococcus multilocularis	lamin	0.0055	0.014	0.0135
Onchocerca volvulus	Ribonuclease H1 homolog	0.0087	0.0295	0.1685
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0077	0.0245	0.352
Schistosoma mansoni	phosphoglucomutase	0.0087	0.0295	0.0262
Trypanosoma brucei	thymidylate kinase, putative	0.0151	0.0595	0.1158
Echinococcus granulosus	thymidine kinase	0.2126	1	1
Toxoplasma gondii	thymidylate kinase	0.0151	0.0595	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0054	0.005
Treponema pallidum	ribonuclease H (rnhA)	0.0087	0.0295	0.1428
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0077	0.0243	0.0404
Echinococcus granulosus	survival motor neuron protein 1	0.0242	0.1033	0.1029
Plasmodium falciparum	thymidylate kinase	0.0151	0.0595	1
Giardia lamblia	Ribonuclease H	0.0087	0.0295	0.0261
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0077	0.0243	0.349
Trypanosoma cruzi	thymidine kinase, putative	0.1018	0.4725	1
Brugia malayi	RNase H family protein	0.0087	0.0295	0.1889
Giardia lamblia	Glycogen phosphorylase	0.0337	0.1481	0.2279
Brugia malayi	hypothetical protein	0.0101	0.0362	0.2344
Trichomonas vaginalis	thymidylate kinase, putative	0.0151	0.0595	0.1158
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.0353	0.156	0.1556
Trypanosoma cruzi	PAB1-binding protein , putative	0.0101	0.0362	0.0657
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0138	0.0535	0.1028
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0337	0.1481	0.3055
Brugia malayi	hypothetical protein	0.0242	0.1033	0.6936
Leishmania major	hypothetical protein, conserved	0.0101	0.0362	0.0657
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0146	0.0572	0.546
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0055	0.0368
Trypanosoma cruzi	cytidine deaminase-like protein	0.0055	0.0141	0.0186
Onchocerca volvulus		0.0049	0.0114	0.0418
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0319	0.0286
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0243	0.0404
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0054	0.005
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0055	0.0246
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0057	0.0148	0.0144
Schistosoma mansoni	lipoxygenase	0.0057	0.0148	0.0114
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0167	0.024
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0059	0.016	0.0226
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Echinococcus granulosus	glycogen phosphorylase	0.0337	0.1481	0.1477
Onchocerca volvulus		0.0055	0.014	0.0598
Toxoplasma gondii	exonuclease III APE	0.0077	0.0245	0.352
Echinococcus granulosus	inositol monophosphatase 1	0.0077	0.0243	0.0239
Echinococcus multilocularis	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0138	0.0535	0.053
Trypanosoma brucei	PAB1-binding protein , putative	0.0101	0.0362	0.0657
Brugia malayi	Deoxynucleoside kinase family protein	0.0138	0.0535	0.3529
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0319	0.0314
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0114	0.0654
Leishmania major	ribonuclease H1, putative	0.0087	0.0295	0.0515
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0435	0.2935
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0077	0.0245	0.1653
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.0581	0.0549
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0319	0.0286
Echinococcus granulosus	geminin	0.0514	0.2323	0.2319
Entamoeba histolytica	hypothetical protein	0.0138	0.0535	0.1028
Onchocerca volvulus		0.0055	0.014	0.0598
Echinococcus granulosus	solute carrier family 28	0.0353	0.156	0.1556
Trichomonas vaginalis	cytidine deaminase, putative	0.0055	0.0141	0.0186
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0337	0.1481	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0101	0.0362	0.5676
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.023	0.0975	0.0971
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.0353	0.156	0.1556
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.037	0.2401
Onchocerca volvulus	Putative thymidylate kinase	0.0151	0.0595	0.3791
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0077	0.0245	0.201

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 137 ml/min.kg	Blood clearance in rat	ChEMBL.	18248991
IC50 (binding)	= 6.1	Displacement of [3H]Dofetilide from human ERG	ChEMBL.	18248991
Ki (functional)	> 5.3	Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay	ChEMBL.	18248991
Ki (functional)	> 6	Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay	ChEMBL.	18248991
Ki (functional)	= 9.1	Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay	ChEMBL.	18248991
Log IC50 (binding)	= 6.1	Displacement of [3H]Dofetilide from human ERG	ChEMBL.	18248991
Log Ki (functional)	< 5.3	Antagonist activity at histamine H1 receptor (unknown origin) by FLIPR assay	ChEMBL.	18248991
Log Ki (functional)	< 6	Antagonist activity at dopamine D2 receptor (unknown origin) by GTPgammaS binding assay	ChEMBL.	18248991
Log Ki (functional)	= 9.1	Antagonist activity at human dopamine D3 receptor by cell based GTPgammaS binding assay	ChEMBL.	18248991
Ratio (binding)	= 1000	Selectivity for human dopamine D3 receptor over histamine H1 receptor (unknown origin)	ChEMBL.	18248991
Ratio (binding)	= 1000	Selectivity for human dopamine D3 receptor over dopamine D2 receptor (unknown origin)	ChEMBL.	18248991
Ratio (binding)	= 1000	Selectivity for human dopamine D3 receptor over human ERG	ChEMBL.	18248991

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: CHEMBL429132
PubChem: 11720838

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 518929