TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 503.603 | Formula: C27H36F3N5O
H donors: 0 H acceptors: 3 LogP: 5.19 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C1CCCc2c(N1CCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F)cccc2
InChi: 1S/C27H36F3N5O/c1-26(2,3)25-31-22(27(28,29)30)19-23(32-25)34-17-15-33(16-18-34)13-6-7-14-35-21-11-5-4-9-20(21)10-8-12-24(35)36/h4-5,9,11,19H,6-8,10,12-18H2,1-3H3
InChiKey: GTZSQZPMHIHCCP-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 D3	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.0035	0.0043	0.084
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.002	0.1232
Echinococcus multilocularis	cathepsin L	0.0027	0.0029	0.0398
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0073	0.5552
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Plasmodium vivax	unspecified product	0.0027	0.0029	0.1483
Schistosoma mansoni	multidrug resistance protein	0.0022	0.002	0.065
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.002	0.1232
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0048	0.151
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0018	0.0534
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0115	0.0185	0.5567
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.0009	0.0278
Schistosoma mansoni	cathepsin s	0.0017	0.0012	0.0381
Plasmodium falciparum	LCCL domain-containing protein	0.0021	0.0018	0.1418
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0083	0.0128	0.3766
Trypanosoma cruzi	cruzipain precursor, putative	0.0198	0.0331	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0048	0.0656
Brugia malayi	multidrug resistance protein 3	0.0022	0.002	0.0603
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0012	0.0325
Entamoeba histolytica	hypothetical protein	0.0037	0.0048	0.3447
Echinococcus granulosus	cathepsin L	0.0027	0.0029	0.0918
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0189	0.0315	0.9283
Echinococcus multilocularis	ATP binding cassette sub family B	0.0022	0.002	0.0276
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0019	0.0536
Schistosoma mansoni	follistatin	0.0099	0.0157	0.4976
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0018	0.0534
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0018	0.0575
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0058	0.0084	0.1154
Entamoeba histolytica	hypothetical protein	0.0037	0.0048	0.3447
Entamoeba histolytica	cysteine proteinase, putative	0.0035	0.0043	0.3077
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.0073	0.1011
Brugia malayi	hypothetical protein	0.0021	0.0018	0.0534
Trypanosoma brucei	hypothetical protein, conserved	0.0021	0.0019	0.0536
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.0073	0.2329
Chlamydia trachomatis	cysteine--tRNA ligase	0.0083	0.0128	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0022	0.002	0.0636
Leishmania major	carnitine palmitoyltransferase-like protein	0.0021	0.0019	0.0536
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	0.3838
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.0073	0.2162
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0083	0.0128	1
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0083	0.0128	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0043	0.3077
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0017	0.0012	0.0353
Entamoeba histolytica	P-glyco protein 6, putative	0.0022	0.002	0.1232
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.002	0.0282
Plasmodium falciparum	cysteine--tRNA ligase	0.0083	0.0128	1
Leishmania major	cathepsin L-like protease	0.0052	0.0073	0.2186
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0022	0.002	0.0019
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0019	0.0536
Schistosoma mansoni	cathepsin F (C01 family)	0.0035	0.0043	0.1367
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Plasmodium vivax	vivapain-1	0.0027	0.0029	0.1483
Leishmania major	cathepsin L-like protease	0.0052	0.0073	0.2186
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Loa Loa (eye worm)	choline O-acetyltransferase	0.0021	0.0019	0.0558
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0019	0.0536
Toxoplasma gondii	protease inhibitor PI2	0.0099	0.0157	0.4976
Schistosoma mansoni	organic anion transporter	0.0189	0.0315	1
Loa Loa (eye worm)	cysteine protease	0.0052	0.0073	0.2162
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0052	0.0073	0.2162
Trichomonas vaginalis	abcb9, putative	0.0022	0.002	0.1232
Leishmania major	carnitine/choline acetyltransferase, putative	0.0021	0.0019	0.0536
Trichomonas vaginalis	DNA helicase recq1, putative	0.0025	0.0026	0.1688
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0043	0.1269
Echinococcus multilocularis	pol protein	0.0422	0.0725	1
Onchocerca volvulus	Putative organic anion transporter	0.0189	0.0315	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0331	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Echinococcus multilocularis	expressed protein	0.0099	0.0157	0.216
Echinococcus multilocularis	bloom syndrome protein	0.0025	0.0026	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0157	0.4619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0838
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Onchocerca volvulus	Cathepsin F homolog	0.0052	0.0073	0.186
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0034	0.098
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0022	0.002	0.065
Entamoeba histolytica	P-glycoprotein-5	0.0022	0.002	0.1232
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0029	0.0034	0.0032
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0099	0.0157	0.4976
Onchocerca volvulus		0.0052	0.0073	0.186
Onchocerca volvulus		0.0052	0.0073	0.186
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0205	0.6041
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Leishmania major	cytochrome p450-like protein	0.0029	0.0034	0.098
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Brugia malayi	sodium-independent organic anion transporter family protein	0.0189	0.0315	0.9283
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0034	0.099
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0037	0.1077
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Plasmodium vivax	multidomain scavenger receptor, putative	0.0021	0.0018	0.0555
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0838
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Schistosoma mansoni	loxhd1	0.0021	0.0018	0.0575
Schistosoma mansoni	hypothetical protein	0.0037	0.0048	0.151
Trichomonas vaginalis	abcb9, putative	0.0022	0.002	0.1232
Loa Loa (eye worm)	RecQ helicase	0.0025	0.0026	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0157	0.4619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0099	0.0157	0.4976
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0021	0.0019	0.0536
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0066	0.0913
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.0073	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0048	0.151
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.002	0.1232
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0115	0.0185	0.5866
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0339	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0066	0.2102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0066	0.2102
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0034	0.099
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Loa Loa (eye worm)	multidrug resistance protein 3	0.0022	0.002	0.0603
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0066	0.1951
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0189	0.0315	0.4342
Brugia malayi	sodium-independent organic anion transporter family protein	0.0189	0.0315	0.9283
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.1921
Echinococcus multilocularis	choline O acetyltransferase	0.0021	0.0019	0.0261
Brugia malayi	Choline O-acetyltransferase	0.0021	0.0019	0.0558
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0099	0.0157	0.4619
Brugia malayi	hypothetical protein	0.0189	0.0315	0.9283
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0001	0.0041
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.1921
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0058	0.0084	0.2657
Trichomonas vaginalis	taga, putative	0.0022	0.002	0.1232
Trypanosoma cruzi	cruzipain precursor, putative	0.0017	0.0012	0.0325
Onchocerca volvulus		0.0189	0.0315	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0115	0.0185	0.2547
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Schistosoma mansoni	choline o-acyltransferase	0.0021	0.0019	0.0601
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0021	0.0019	0.0536
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.002	0.065
Loa Loa (eye worm)	hypothetical protein	0.0022	0.002	0.0603
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0099	0.0157	0.4619
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.0073	0.186
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0034	0.099
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Entamoeba histolytica	cysteine proteinase 1, putative	0.0027	0.0029	0.1921
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0083	0.0128	0.4057
Leishmania major	cathepsin L-like protease	0.0198	0.0331	1
Brugia malayi	prostaglandin transporter	0.0189	0.0315	0.9283
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.002	0.0282
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0034	0.099
Echinococcus granulosus	choline O acetyltransferase	0.0021	0.0019	0.0601
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Plasmodium vivax	vivapain-2	0.0052	0.0073	0.5311
Onchocerca volvulus		0.0083	0.0128	0.3694
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0001	0.0038
Brugia malayi	hypothetical protein	0.0037	0.0048	0.1402
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0021	0.1617
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0029	0.0838
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.002	0.1232
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0021	0.0019	0.0558
Entamoeba histolytica	P-glycoprotein-1	0.0022	0.002	0.1232
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.002	0.065
Loa Loa (eye worm)	hypothetical protein	0.0022	0.002	0.0603
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0125
Entamoeba histolytica	P-glycoprotein-2	0.0022	0.002	0.1232
Brugia malayi	sodium-independent organic anion transporter family protein	0.0189	0.0315	0.9283
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0019	0.0536
Echinococcus granulosus	cathepsin L cysteine protease	0.0027	0.0029	0.0918
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0043	0.1269
Trichomonas vaginalis	DNA helicase recq, putative	0.0025	0.0026	0.1688
Entamoeba histolytica	hypothetical protein	0.0037	0.0048	0.3447
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0073	0.5552
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Trichomonas vaginalis	ABC transporter, putative	0.0022	0.002	0.1232
Echinococcus multilocularis	pol protein	0.0422	0.0725	1
Echinococcus multilocularis	agrin	0.0099	0.0157	0.216
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.0009	0.0278
Echinococcus multilocularis	cysteine protease	0.0052	0.0073	0.1011
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0034	0.098
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0331	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Onchocerca volvulus		0.0099	0.0157	0.4669
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0189	0.0315	1
Onchocerca volvulus	Putative organic anion transporter	0.0189	0.0315	1
Schistosoma mansoni	smdr2	0.0022	0.002	0.065
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0021	0.0019	0.0601
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0128	0.3766
Entamoeba histolytica	P-glycoprotein-2, putative	0.0022	0.002	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0157	0.4619
Entamoeba histolytica	P-glycoprotein-2	0.0022	0.002	0.1232
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0011	0.036
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.5691	1	1
Brugia malayi	SPARC precursor	0.0099	0.0157	0.4619
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0099	0.0157	0.4976
Plasmodium vivax	vivapain-3	0.0027	0.0029	0.1483
Onchocerca volvulus		0.0021	0.0019	0.0027
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.002	0.0282
Onchocerca volvulus		0.0052	0.0073	0.186
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.0073	0.5552
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0022	0.002	0.0582
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Plasmodium vivax	vivapain-2	0.0052	0.0073	0.5311
Leishmania major	cathepsin L-like protease	0.0052	0.0073	0.2186
Schistosoma mansoni	hypothetical protein	0.0021	0.0018	0.0575
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	0.3838
Echinococcus granulosus	agrin	0.0099	0.0157	0.4976
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.0073	0.186
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0017	0.0531
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0099	0.0157	0.4619
Echinococcus granulosus	cysteine protease	0.0027	0.0029	0.0918
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0125
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0203	0.0339	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.002	0.0282
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0353
Onchocerca volvulus		0.0021	0.0019	0.0027
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0918
Leishmania major	cathepsin L-like protease	0.0052	0.0073	0.2186
Brugia malayi	Bloom's syndrome protein homolog	0.0025	0.0026	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0019	0.0558
Onchocerca volvulus		0.0189	0.0315	1
Onchocerca volvulus		0.0189	0.0315	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0022	0.002	0.0757
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.002	0.1232
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.002	0.065
Schistosoma mansoni	organic anion transporter	0.0189	0.0315	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0099	0.0157	0.4619
Schistosoma mansoni	lipoxygenase	0.0021	0.0018	0.0575
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0027	0.0029	0.0838
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0043	0.1269
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0852
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Leishmania major	cathepsin L-like protease	0.0198	0.0331	1
Brugia malayi	ABC transporter family protein	0.0022	0.002	0.0603
Echinococcus multilocularis	follistatin	0.0099	0.0157	0.216
Schistosoma mansoni	multidrug resistance protein	0.0022	0.002	0.065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0066	0.2102
Onchocerca volvulus		0.0052	0.0073	0.186
Leishmania major	cysteine peptidase A (CPA)	0.0052	0.0073	0.2186
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0018	0.0575
Plasmodium falciparum	cysteine--tRNA ligase	0.0083	0.0128	1
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0083	0.0128	0.4057
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0012	0.0353
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0083	0.0128	0.3766
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Echinococcus granulosus	leucyl tRNA synthetase	0.0083	0.0128	0.4057
Trypanosoma cruzi	cysteine protease, putative	0.0027	0.0029	0.0838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0838
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.002	0.0282
Echinococcus multilocularis	multidrug resistance protein 1	0.0015	0.0009	0.0121
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0021	0.0019	0.0536
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0015	0.0009	0.0276
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.002	0.065
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0012	0.0353
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0083	0.0128	0.4057
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.0073	0.1011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0066	0.2102
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0001	0.0038
Schistosoma mansoni	choline o-acyltransferase	0.0021	0.0019	0.0601
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0052	0.0073	0.2329
Echinococcus granulosus	follistatin	0.0099	0.0157	0.4976
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.002	0.1232
Trypanosoma cruzi	MFS transporter, putative	0.0189	0.0315	0.9517
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.002	0.065
Trypanosoma cruzi	major cysteine proteinase, putative	0.0156	0.0256	0.7733
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0034	0.098
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.1921
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0189	0.0315	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0099	0.0157	0.4619
Echinococcus multilocularis		0.0011	0.0001	0.0018
Onchocerca volvulus		0.0052	0.0073	0.186
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0052	0.0073	0.2329
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0021	0.0019	0.0536
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.002	0.1232
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0018	0.025
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.0073	0.1011
Brugia malayi	cathepsin L-like precursor	0.0035	0.0043	0.1269
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0021	0.0019	0.0536
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0083	0.0128	1
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0021	0.0019	0.0536
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0181	0.0301	0.9081
Schistosoma mansoni	lipoxygenase	0.0058	0.0084	0.2657
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0115	0.0185	0.5567
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0043	0.3077
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0021	0.0019	0.0558
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.1921
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0021	0.0019	0.0536
Brugia malayi	Choline O-acetyltransferase	0.0021	0.0019	0.0558
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0331	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.002	0.0591
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0115	0.0185	0.5567
Leishmania major	cathepsin L-like protease	0.0198	0.0331	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.0073	0.2186
Loa Loa (eye worm)	fibroinase	0.0052	0.0073	0.2162
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0019	0.0536
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0021	0.0019	0.0261
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0066	0.0913
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0022	0.002	0.1232
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Schistosoma mansoni	polycystin 1-related	0.0021	0.0018	0.0575
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0189	0.0315	0.4342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.002	0.0282
Loa Loa (eye worm)	ctsf protein	0.0052	0.0073	0.2162
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.0073	0.2329
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0018	0.0534
Entamoeba histolytica	P-glycoprotein 5, putative	0.0022	0.002	0.1232
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.002	0.065
Entamoeba histolytica	hypothetical protein	0.0037	0.0048	0.3447
Onchocerca volvulus		0.0021	0.0019	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0014	0.0412
Brugia malayi	Doublecortin family protein	0.0021	0.0018	0.0534
Loa Loa (eye worm)	agrin synaptic family protein	0.0099	0.0157	0.4619
Schistosoma mansoni	multidrug resistance protein	0.0022	0.002	0.065
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.5691	1	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0157	0.4619
Schistosoma mansoni	rab6-interacting	0.0021	0.0018	0.0575
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Plasmodium vivax	unspecified product	0.0017	0.0012	0.0027
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0001	0.0041
Brugia malayi	Cathepsin L-like precursor	0.0052	0.0073	0.2162
Trichomonas vaginalis	abcb9, putative	0.0022	0.002	0.1232
Brugia malayi	hypothetical protein	0.0189	0.0315	0.9283
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0043	0.1269
Onchocerca volvulus	Putative organic anion transporter	0.0189	0.0315	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0021	0.0019	0.0536
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0022	0.002	0.0603
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Treponema pallidum	cysteinyl-tRNA synthetase	0.0083	0.0128	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.0073	0.5552
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.1921
Brugia malayi	secreted modular calcium-binding protein 1	0.0099	0.0157	0.4619
Schistosoma mansoni	hypothetical protein	0.0011	0.0001	0.0041
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0021	0.0019	0.0536
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0021	0.0019	0.0536
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0022	0.002	0.065
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0918
Echinococcus multilocularis	RUN	0.0021	0.0018	0.025
Echinococcus multilocularis	cysteine protease	0.0052	0.0073	0.1011
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0083	0.0128	0.3838
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0852
Echinococcus granulosus	bloom syndrome protein	0.0025	0.0026	0.0827
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0331	1
Echinococcus granulosus	cathepsin l1	0.0052	0.0073	0.2329
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.002	0.1232
Leishmania major	p-glycoprotein	0.0022	0.002	0.0582
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0073	0.2162
Leishmania major	cathepsin L-like protease	0.0052	0.0073	0.2186
Echinococcus granulosus	cathepsin l1	0.0035	0.0043	0.1367
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0073	0.5552
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0838
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0022	0.002	0.1232
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0027	0.0029	0.2262
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0022	0.002	0.0282
Echinococcus granulosus	RUN	0.0021	0.0018	0.0575
Brugia malayi	cathepsin F-like cysteine proteinase	0.0017	0.0012	0.0353
Onchocerca volvulus		0.0052	0.0073	0.186
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0022	0.002	0.1232
Schistosoma mansoni	cytochrome P450	0.0011	0.0001	0.0041
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0083	0.0128	0.1761
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0315	0.9283
Entamoeba histolytica	cysteine proteinase 2	0.0027	0.0029	0.1921
Onchocerca volvulus		0.0022	0.002	0.0079
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0022	0.002	0.065
Toxoplasma gondii	cathepsin CPL	0.0052	0.0073	0.2329
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0043	0.1269
Brugia malayi	cytochrome P450	0.0011	0.0001	0.0038
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0052	0.0073	0.5739
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0018	0.025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0066	0.2102
Schistosoma mansoni	agrin	0.0099	0.0157	0.4976
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0035	0.0043	0.1269
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0018	0.0575
Onchocerca volvulus		0.0189	0.0315	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0353
Toxoplasma gondii	transporter, major facilitator family protein	0.0189	0.0315	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0052	0.0073	0.5739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0066	0.1951
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0021	0.0019	0.0558
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.0073	0.5552
Plasmodium falciparum	multidrug resistance protein 1	0.0022	0.002	0.1602
Onchocerca volvulus		0.0052	0.0073	0.186
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0083	0.0128	0.0127
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0073	0.2162
Schistosoma mansoni	rab6-interacting	0.0021	0.0018	0.0575
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0021	0.0019	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0012	0.0353
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0099	0.0157	0.4976
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0073	0.5552
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0037	0.1077
Echinococcus multilocularis	pol protein	0.0422	0.0725	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0018	0.025
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.1921
Onchocerca volvulus		0.0021	0.0019	0.0027
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0022	0.002	0.1232
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0083	0.0128	0.4057
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0034	0.099
Onchocerca volvulus		0.0189	0.0315	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0052	0.0073	0.5739
Brugia malayi	hypothetical protein	0.0021	0.0018	0.0534
Echinococcus multilocularis	pol protein	0.0422	0.0725	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 16.8 nM	Binding affinity to human cloned dopamine D3 receptor	ChEMBL.	16271293
Ki (binding)	= 16.8 nM	Binding affinity to human cloned dopamine D3 receptor	ChEMBL.	16271293
Ki (binding)	= 118 nM	Binding affinity to human cloned dopamine D2 receptor	ChEMBL.	16271293
Ki (binding)	= 118 nM	Binding affinity to human cloned dopamine D2 receptor	ChEMBL.	16271293
Ratio Ki (binding)	= 7	Selectivity for human cloned dopamine D3 receptor over D2 receptor	ChEMBL.	16271293

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: CHEMBL380597

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 351406