TDR Targets

Basic information

Technical information

TDR Targets ID: 220338
Name: (E)-3-(1,3-benzodioxol-4-yl)-N-[4-[4-(2-metho xyphenyl)piperazin-1-yl]butyl]prop-2-enamide
MW: 437.531 | Formula: C25H31N3O4
H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N1CCN(CC1)CCCCNC(=O)/C=C/c1cccc2c1OCO2
InChi: 1S/C25H31N3O4/c1-30-22-9-3-2-8-21(22)28-17-15-27(16-18-28)14-5-4-13-26-24(29)12-11-20-7-6-10-23-25(20)32-19-31-23/h2-3,6-12H,4-5,13-19H2,1H3,(H,26,29)/b12-11+
InChiKey: UGPOUXCBUMYZLN-VAWYXSNFSA-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

(E)-3-(1,3-benzodioxol-4-yl)-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-propenamide
(E)-3-(1,3-benzodioxol-4-yl)-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]acrylamide
(E)-3-(1,3-benzodioxol-4-yl)-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]prop-2-enamide
(E)-3-(1,3-benzodioxol-4-yl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acrylamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0419	0.3344	0.5946
Brugia malayi	RNA binding protein	0.0062	0.0135	0.0135
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Onchocerca volvulus		0.061	0.5064	1
Brugia malayi	Papain family cysteine protease containing protein	0.033	0.2541	0.2541
Echinococcus granulosus	cysteine protease	0.033	0.2541	0.2439
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.033	0.2541	0.2541
Onchocerca volvulus		0.061	0.5064	1
Schistosoma mansoni	cathepsin s	0.0191	0.1297	0.1297
Echinococcus granulosus	cathepsin b	0.1159	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0135	0.0135
Leishmania major	cathepsin L-like protease	0.061	0.5064	0.6287
Echinococcus granulosus	cathepsin b	0.1159	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.033	0.2541	0.1874
Echinococcus multilocularis	cathepsin b	0.1159	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.033	0.2541	0.4054
Loa Loa (eye worm)	ctsf protein	0.061	0.5064	0.4996
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Echinococcus multilocularis	geminin	0.0177	0.1167	0.1046
Brugia malayi	hypothetical protein	0.0231	0.1652	0.1652
Leishmania major	cathepsin L-like protease	0.061	0.5064	0.6287
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0135	0.0135
Plasmodium vivax	unspecified product	0.0191	0.1297	0.1122
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1159	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0511	0.4173	0.3652
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.061	0.5064	0.4996
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0138	0.0821	0.0821
Loa Loa (eye worm)	hypothetical protein	0.061	0.5064	0.4996
Giardia lamblia	Cathepsin B precursor	0.0454	0.366	1
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Schistosoma mansoni	hypothetical protein	0.0177	0.1167	0.1167
Trypanosoma cruzi	cysteine protease, putative	0.033	0.2541	0.1874
Entamoeba histolytica	cysteine proteinase, putative	0.061	0.5064	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0135	0.0135
Brugia malayi	cathepsin F-like cysteine proteinase	0.0138	0.0821	0.0821
Trypanosoma cruzi	cysteine peptidase, putative	0.0702	0.5893	0.5526
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Schistosoma mansoni	cathepsin F (C01 family)	0.061	0.5064	0.5064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Echinococcus granulosus	cathepsin l1	0.061	0.5064	0.4996
Entamoeba histolytica	cysteine proteinase, putative	0.033	0.2541	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.0821	0.0821
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.0821	0.0821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Echinococcus granulosus	cathepsin L	0.033	0.2541	0.2439
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.0821	0.0821
Schistosoma mansoni	cathepsin B (C01 family)	0.0138	0.0821	0.0821
Entamoeba histolytica	cysteine protease, putative	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.061	0.5064	1
Echinococcus multilocularis	cathepsin b	0.1159	1	1
Onchocerca volvulus	Cathepsin L homolog	0.061	0.5064	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.033	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1297	0.1178
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.1652	0.1538
Brugia malayi	cathepsin L-like precursor	0.0419	0.3344	0.3344
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0191	0.1297	0.1297
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Echinococcus multilocularis	microtubule associated protein 2	0.072	0.6053	0.6
Plasmodium vivax	vivapain-3	0.033	0.2541	0.4054
Schistosoma mansoni	hypothetical protein	0.0177	0.1167	0.1167
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.0821	0.0821
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Brugia malayi	cathepsin L precursor	0.0138	0.0821	0.0821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0454	0.366	0.3338
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1297	0.1178
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0135	0.0135
Onchocerca volvulus		0.061	0.5064	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0191	0.1297	0.1178
Echinococcus multilocularis	cathepsin L	0.033	0.2541	0.2439
Echinococcus granulosus	microtubule associated protein 2	0.072	0.6053	0.6
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.033	0.2541	0.1874
Loa Loa (eye worm)	cathepsin B	0.0454	0.366	0.3573
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Entamoeba histolytica	cysteine proteinase, putative	0.033	0.2541	0.4054
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0138	0.0821	0.0821
Brugia malayi	TAR-binding protein	0.0062	0.0135	0.0135
Giardia lamblia	Cathepsin B precursor	0.0454	0.366	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Loa Loa (eye worm)	hypothetical protein	0.0419	0.3344	0.3253
Toxoplasma gondii	cathepsin B	0.0454	0.366	0.6691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Schistosoma mansoni	microtubule-associated protein tau	0.072	0.6053	0.6053
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0454	0.366	0.366
Loa Loa (eye worm)	fibroinase	0.061	0.5064	0.4996
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Echinococcus granulosus	cathepsin l1	0.0419	0.3344	0.3253
Echinococcus multilocularis	cysteine protease	0.061	0.5064	0.4996
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0702	0.5893	0.5526
Brugia malayi	cathepsin L-like cysteine proteinase	0.0138	0.0821	0.0821
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0138	0.0821	0.0695
Plasmodium vivax	unspecified product	0.033	0.2541	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.033	0.2541	0.2541
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1159	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.033	0.2541	0.4054
Onchocerca volvulus		0.061	0.5064	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1652	0.1538
Echinococcus multilocularis	cathepsin L cysteine protease	0.061	0.5064	0.4996
Plasmodium vivax	vivapain-2	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Loa Loa (eye worm)	cysteine protease	0.061	0.5064	0.4996
Onchocerca volvulus	Cathepsin L homolog	0.061	0.5064	1
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.0821	0.0821
Leishmania major	cysteine peptidase A (CPA)	0.061	0.5064	0.6287
Brugia malayi	Papain family cysteine protease containing protein	0.0138	0.0821	0.0821
Trypanosoma cruzi	cysteine peptidase, putative	0.0702	0.5893	0.5526
Trypanosoma cruzi	cysteine peptidase, putative	0.0191	0.1297	0.0519
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.1652	0.1538
Brugia malayi	Cathepsin L-like precursor	0.0419	0.3344	0.3344
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.061	0.5064	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1159	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.061	0.5064	0.4996
Plasmodium falciparum	cysteine proteinase falcipain 1	0.033	0.2541	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.0821	0.0821
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695
Loa Loa (eye worm)	hypothetical protein	0.1159	1	1
Brugia malayi	fibroinase precursor	0.0138	0.0821	0.0821
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1159	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.033	0.2541	0.1874
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1159	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.033	0.2541	0.2541
Brugia malayi	Cathepsin L-like precursor	0.0191	0.1297	0.1297
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0454	0.366	0.3093
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Onchocerca volvulus	Cathepsin F homolog	0.061	0.5064	1
Toxoplasma gondii	cathepsin CPL	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.033	0.2541	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Entamoeba histolytica	cysteine proteinase, putative	0.033	0.2541	0.4054
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.061	0.5064	1
Schistosoma mansoni	cathepsin F (C01 family)	0.061	0.5064	0.5064
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Schistosoma mansoni	cathepsin F (C01 family)	0.0419	0.3344	0.3344
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.061	0.5064	0.4996
Echinococcus granulosus	geminin	0.0177	0.1167	0.1046
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0191	0.1297	0.1297
Echinococcus multilocularis	cathepsin L	0.0138	0.0821	0.0695
Entamoeba histolytica	cysteine proteinase 2	0.033	0.2541	0.4054
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0419	0.3344	0.5946
Leishmania major	cathepsin L-like protease	0.0702	0.5893	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0454	0.366	0.6691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695
Onchocerca volvulus		0.061	0.5064	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.033	0.2541	0.4054
Plasmodium vivax	vivapain-1	0.033	0.2541	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Echinococcus granulosus	cathepsin L cysteine protease	0.033	0.2541	0.2439
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0138	0.0821	0.0695
Echinococcus granulosus	cathepsin L	0.0138	0.0821	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1297	0.1178
Leishmania major	cathepsin L-like protease	0.0702	0.5893	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695
Loa Loa (eye worm)	hypothetical protein	0.0419	0.3344	0.3253
Onchocerca volvulus		0.061	0.5064	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.061	0.5064	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695
Onchocerca volvulus		0.0419	0.3344	0.6603
Entamoeba histolytica	cysteine proteinase, putative	0.0419	0.3344	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0419	0.3344	0.3344
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Leishmania major	cathepsin L-like protease	0.061	0.5064	0.6287
Echinococcus multilocularis	cysteine protease	0.061	0.5064	0.4996
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0138	0.0821	0.0821
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0138	0.0821	0.0821
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Leishmania major	cathepsin L-like protease	0.061	0.5064	0.6287
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.061	0.5064	0.4996
Brugia malayi	Papain family cysteine protease containing protein	0.061	0.5064	0.5064
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.061	0.5064	0.4996
Onchocerca volvulus		0.0138	0.0821	0.1621
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Plasmodium vivax	vivapain-2	0.061	0.5064	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0138	0.0821	0.0821
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0138	0.0821	0.0695
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0138	0.0821	0.0821
Echinococcus granulosus	cathepsin l cysteine peptidase	0.061	0.5064	0.4996
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0702	0.5893	1
Schistosoma mansoni	cathepsin C	0.0138	0.0821	0.0821
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0138	0.0821	0.0821
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0419	0.3344	0.3344
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0138	0.0821	0.0821
Onchocerca volvulus	Cathepsin L homolog	0.0138	0.0821	0.1621
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Entamoeba histolytica	cysteine protease, putative	0.033	0.2541	0.4054
Brugia malayi	Cathepsin L-like precursor	0.061	0.5064	0.5064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.061	0.5064	1
Trypanosoma cruzi	cysteine peptidase, putative	0.061	0.5064	0.4622
Trypanosoma cruzi	cysteine peptidase, putative	0.0702	0.5893	0.5526
Entamoeba histolytica	cysteine proteinase, putative	0.061	0.5064	1
Onchocerca volvulus		0.061	0.5064	1
Leishmania major	cathepsin L-like protease	0.0702	0.5893	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.061	0.5064	0.4996
Leishmania major	cathepsin L-like protease	0.061	0.5064	0.6287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.061	0.5064	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.061	0.5064	1
Giardia lamblia	Cathepsin B precursor	0.0454	0.366	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0135	0.0135
Trypanosoma cruzi	major cysteine proteinase, putative	0.023	0.165	0.0903
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0138	0.0821	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0419	0.3344	0.3253
Trypanosoma cruzi	cysteine proteinase, putative	0.033	0.2541	0.1874
Trypanosoma cruzi	cruzipain precursor, putative	0.0191	0.1297	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0821	0.0695

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.55 nM	Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells	ChEMBL.	12930150
Ki (binding)	= 0.55 nM	Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells	ChEMBL.	12930150
Ki (binding)	= 8 nM	Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells	ChEMBL.	12930150
Ki (binding)	= 8 nM	Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells	ChEMBL.	12930150
Ratio (binding)	= 15	Ratio of binding affinities towards human Dopamine receptor D2 and Dopamine receptor D3 receptors was determined	ChEMBL.	12930150

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: CHEMBL125459
PubChem: 11102188

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 220338