TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 532.694 | Formula: C31H36N2O4S
H donors: 1 H acceptors: 3 LogP: 5.81 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ccc(cc1)c1ccccc1)NCCCCN1CCC[C@@H]2[C@@H]1CCc1c2cccc1OS(=O)(=O)C
InChi: 1S/C31H36N2O4S/c1-38(35,36)37-30-13-7-11-26-27-12-8-22-33(29(27)19-18-28(26)30)21-6-5-20-32-31(34)25-16-14-24(15-17-25)23-9-3-2-4-10-23/h2-4,7,9-11,13-17,27,29H,5-6,8,12,18-22H2,1H3,(H,32,34)/t27-,29-/m0/s1
InChiKey: PRDRZXROMYANHC-YTMVLYRLSA-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	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
Leishmania major	calpain protease-like protein	0.0017	0.0166	0.0093
Trypanosoma brucei	cytoskeleton-associated protein CAP5.5, putative	0.0017	0.0166	0.1434
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0281	0.0281
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0281	0.2584
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0281	0.0281
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0158	0.0236
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0014	0.0093	0.0093
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0158	0.0236
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0014	0.0093	0.0139
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0281	0.0281
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0017	0.0166	0.1434
Echinococcus multilocularis	ornithine aminotransferase	0.0065	0.118	0.1766
Toxoplasma gondii	hypothetical protein	0.0017	0.0166	0.1406
Echinococcus multilocularis	calpain family protein 1, d	0.0112	0.2191	0.3278
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0158	0.1337
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0166	0.0166
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0456	0.9526	1
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0014	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Brugia malayi	MH2 domain containing protein	0.0017	0.0166	0.0166
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.0014	0.0093	0.0139
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus granulosus	Aminotransferase class III	0.0065	0.118	0.1766
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Onchocerca volvulus		0.0023	0.0281	0.0281
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0014	0.0093	0.0074
Mycobacterium ulcerans	hypothetical protein	0.0456	0.9526	1
Entamoeba histolytica	calpain family cysteine protease, putative	0.0017	0.0166	0.227
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Entamoeba histolytica	cysteine proteinase 2	0.0012	0.0046	0.0381
Loa Loa (eye worm)	calpain family protein 1	0.0112	0.2191	0.2191
Echinococcus multilocularis	Aminotransferase class III	0.0065	0.118	0.1766
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0281	0.2584
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0281	0.0421
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0046	0.0069
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Leishmania major	hypothetical protein, conserved	0.0017	0.0166	0.0093
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0014	0.0093	0.0093
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.0281	0.2584
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0058	0.1024	0.1532
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0046	0.0025
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0046	0.0381
Echinococcus granulosus	calpain 5	0.0058	0.1024	0.1532
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0121	0.1561
Loa Loa (eye worm)	pax transcription factor protein 2	0.0478	1	1
Echinococcus multilocularis	calpain 7 (C02 family)	0.0058	0.1024	0.1532
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0166	0.0249
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0012	0.0046	0.0025
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Loa Loa (eye worm)	fibroinase	0.0023	0.0281	0.0281
Loa Loa (eye worm)	nuclear factor I	0.001	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0135	0.268	0.268
Brugia malayi	Smad1	0.0017	0.0166	0.0166
Trichomonas vaginalis	hypothetical protein	0.0017	0.0166	0.0151
Echinococcus granulosus	ornithine aminotransferase	0.0065	0.118	0.1766
Trypanosoma brucei	hypothetical protein	0.0017	0.0166	0.1434
Trypanosoma cruzi	cysteine proteinase, putative	0.0012	0.0046	0.0241
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0014	0.0093	0.0139
Trypanosoma brucei	kinesin, putative	0.004	0.0655	0.6318
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Trypanosoma brucei	calpain, putative	0.0017	0.0166	0.1434
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0023	0.0281	0.207
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Leishmania major	cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0046	0.0069
Echinococcus multilocularis	programmed cell death protein	0.0011	0.0022	0.0033
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0281	0.0272
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0158	0.1353
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0323	0.6684	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Echinococcus granulosus	expressed protein	0.0014	0.0093	0.0139
Onchocerca volvulus		0.0023	0.0281	0.0281
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0281	0.409
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0281	0.409
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0121	0.0121
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0.0093	0.0074
Brugia malayi	MH2 domain containing protein	0.0017	0.0166	0.0166
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0158	0.1353
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0166	0.0249
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0014	0.0093	0.0093
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0281	0.2584
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0065	0.118	0.5
Echinococcus granulosus	calpain A	0.0058	0.1024	0.1532
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.0046	0.0046
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0281	0.0421
Trypanosoma brucei	Calpain-like protein 2	0.0017	0.0166	0.1434
Onchocerca volvulus		0.0023	0.0281	0.0281
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0065	0.118	0.1766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0281	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0121	0.0121
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0014	0.0093	0.0139
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0281	0.0421
Echinococcus granulosus	cysteine protease	0.0012	0.0046	0.0069
Schistosoma mansoni	calpain-2 (C02 family)	0.0017	0.0166	0.0248
Echinococcus multilocularis	smad	0.0017	0.0166	0.0249
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0014	0.0093	0.0093
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0014	0.0093	0.0093
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0014	0.0093	0.0093
Schistosoma mansoni	calpain-7 (C02 family)	0.006	0.1087	0.1626
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus multilocularis	Smad4	0.0017	0.0166	0.0249
Plasmodium vivax	calpain, putative	0.0058	0.1024	0.862
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0.0158	0.0983
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0014	0.0093	0.0093
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0159	0.3196	0.4782
Trypanosoma brucei	glucosamine 6-phosphate n-acetyltransferase	0.0017	0.0166	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus multilocularis	calpain 5	0.0058	0.1024	0.1532
Loa Loa (eye worm)	MH2 domain-containing protein	0.0254	0.5213	0.5213
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0014	0.0093	0.0074
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Echinococcus multilocularis	cysteine protease	0.0023	0.0281	0.0421
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0014	0.0093	0.0139
Schistosoma mansoni	calpain C (C02 family)	0.0058	0.1024	0.1532
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Echinococcus granulosus	smad	0.0017	0.0166	0.0249
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0046	0.0381
Loa Loa (eye worm)	calpain 5	0.004	0.0655	0.0655
Onchocerca volvulus		0.0023	0.0281	0.0281
Brugia malayi	MH1 domain containing protein	0.001	0.0001	0.0001
Trypanosoma brucei	antigen, putative	0.0058	0.1024	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0121	0.0121
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0158	0.0158
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0012	0.0046	0.0241
Plasmodium vivax	ornithine aminotransferase, putative	0.0065	0.118	1
Echinococcus multilocularis	ornithine aminotransferase	0.0065	0.118	0.1766
Leishmania major	calpain family cysteine protease-like protein	0.0017	0.0166	0.0093
Echinococcus granulosus	cathepsin l1	0.0015	0.0121	0.0181
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0014	0.0093	0.0139
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0065	0.118	0.118
Schistosoma mansoni	calpain (C02 family)	0.0058	0.1024	0.1532
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0158	0.1353
Loa Loa (eye worm)	calpain D	0.0017	0.0166	0.0166
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0014	0.0093	0.0139
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0017	0.0166	0.1434
Loa Loa (eye worm)	calpain family protein 1	0.0152	0.3049	0.3049
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0121	0.0121
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0323	0.6684	1
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0065	0.118	0.1091
Leishmania major	kinesin, putative	0.004	0.0655	0.5742
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0281	0.0421
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0158	0.0236
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trypanosoma brucei	calpain-like protein, putative	0.0058	0.1024	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0281	0.0421
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0014	0.0093	0.0139
Brugia malayi	calpain family protein 1	0.0152	0.3049	0.3049
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Schistosoma mansoni	calpain-7 (C02 family)	0.006	0.1087	0.1626
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0166	0.0249
Entamoeba histolytica	calpain large subunit domain III containing protein	0.004	0.0655	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Onchocerca volvulus		0.0023	0.0281	0.0281
Toxoplasma gondii	cathepsin CPL	0.0023	0.0281	0.2382
Echinococcus granulosus	cathepsin L	0.0012	0.0046	0.0069
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0166	0.0249
Entamoeba histolytica	cysteine proteinase 1, putative	0.0012	0.0046	0.0381
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0158	0.1337
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0014	0.0093	0.0093
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0166	0.0151
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Trypanosoma brucei	Calpain-like protein 1.2	0.0017	0.0166	0.1434
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Trichomonas vaginalis	calpain, putative	0.0017	0.0166	0.0151
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0152	0.3049	0.4562
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0014	0.0093	0.0139
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0456	0.9526	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0023	0.0281	0.207
Brugia malayi	N-terminal motif family protein	0.0193	0.3919	0.3919
Schistosoma mansoni	Smad4	0.0017	0.0166	0.0249
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0065	0.118	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3049	0.3049
Onchocerca volvulus		0.0015	0.0121	0.0121
Echinococcus granulosus	calpain 7 C02 family	0.0058	0.1024	0.1532
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0323	0.6684	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0014	0.0093	0.0139
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0014	0.0093	0.0139
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0012	0.0046	0.0069
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0014	0.0093	0.0139
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0014	0.0093	0.0139
Schistosoma mansoni	smad	0.0017	0.0166	0.0249
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0.0093	0.0074
Onchocerca volvulus		0.0095	0.1822	0.1822
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.0281	0.0421
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0012	0.0046	0.0241
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0121	0.0181
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.0281	0.0281
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0323	0.6684	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.0281	0.0421
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Brugia malayi	calpain D	0.0017	0.0166	0.0166
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.0281	0.0281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0046	0.0381
Trypanosoma brucei	calpain-like protein, putative	0.0058	0.1024	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0456	0.9526	1
Brugia malayi	MH1 domain containing protein	0.0017	0.0166	0.0166
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0121	0.0986
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0014	0.0093	0.0093
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Loa Loa (eye worm)	calpain	0.0058	0.1024	0.1024
Onchocerca volvulus		0.0014	0.0093	0.0093
Echinococcus multilocularis	calpain	0.0058	0.1024	0.1532
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.0014	0.0093	0.0139
Loa Loa (eye worm)	hypothetical protein	0.001	0.0001	0.0001
Onchocerca volvulus		0.0478	1	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Trypanosoma brucei	calpain-like protein, putative	0.0058	0.1024	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0014	0.0093	0.0093
Brugia malayi	cathepsin L-like precursor	0.0015	0.0121	0.0121
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.0281	0.1423
Onchocerca volvulus		0.0023	0.0281	0.0281
Trypanosoma brucei	Calpain-like protein 1.1	0.0017	0.0166	0.1434
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Loa Loa (eye worm)	Smad1	0.0017	0.0166	0.0166
Brugia malayi	calpain family protein 1	0.0152	0.3049	0.3049
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0065	0.118	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0014	0.0093	0.0093
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0014	0.0093	0.0074
Trypanosoma brucei	calpain-like protein, putative	0.0058	0.1024	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0159	0.3196	0.4782
Brugia malayi	MH1 domain containing protein	0.0017	0.0166	0.0166
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0158	0.0158
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0014	0.0093	0.0074
Plasmodium vivax	vivapain-2	0.0023	0.0281	0.207
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0014	0.0093	0.0139
Brugia malayi	MH1 domain containing protein	0.001	0.0001	0.0001
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Brugia malayi	hypothetical protein	0.0014	0.0093	0.0093
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0065	0.118	0.1091
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0281	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Echinococcus multilocularis	cysteine protease	0.0023	0.0281	0.0421
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0017	0.0166	0.1434
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0065	0.118	1
Echinococcus multilocularis	hypothetical protein	0.0058	0.1024	0.1532
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0456	0.9526	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0166	0.0166
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0281	0.409
Trichomonas vaginalis	calpain, putative	0.0017	0.0166	0.0151
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0158	0.1353
Plasmodium falciparum	calpain	0.0017	0.0166	0.1054
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0323	0.6684	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0159	0.3196	0.4782
Leishmania major	calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0017	0.0166	0.1434
Trypanosoma cruzi	cysteine peptidase, putative	0.0012	0.0046	0.0241
Brugia malayi	MH2 domain containing protein	0.0254	0.5213	0.5213
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0166	0.0249
Plasmodium falciparum	ornithine aminotransferase	0.0065	0.118	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0014	0.0093	0.0139
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0014	0.0093	0.0093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0012	0.0046	0.0241
Onchocerca volvulus		0.0014	0.0093	0.0093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Echinococcus granulosus	Smad4	0.0017	0.0166	0.0249
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.0281	0.0281
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Trypanosoma brucei	cysteine peptidase, putative	0.0017	0.0166	0.1434
Echinococcus multilocularis	calpain A	0.0159	0.3196	0.4782
Brugia malayi	calpain 5	0.004	0.0655	0.0655
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Loa Loa (eye worm)	G protein alpha subunit 3	0.0014	0.0093	0.0093
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0456	0.9526	1
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0065	0.118	0.1091
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0323	0.6684	0.6684
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trypanosoma brucei	calpain, putative	0.0017	0.0166	0.1434
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0323	0.6684	1
Trypanosoma cruzi	cytoskeleton-associated protein CAP5.5, putative	0.0017	0.0166	0.1434
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0193	0.3919	0.3919
Trypanosoma brucei	Calpain-like protein CALP1.3	0.0017	0.0166	0.1434
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0281	0.0281
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Echinococcus granulosus	cathepsin L cysteine protease	0.0012	0.0046	0.0069
Entamoeba histolytica	cysteine proteinase, putative	0.0012	0.0046	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1822	0.1822
Brugia malayi	calpain 7	0.0058	0.1024	0.1024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0.0093	0.0074
Schistosoma mansoni	hypothetical protein	0.0017	0.0166	0.0248
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Echinococcus multilocularis	expressed protein	0.0014	0.0093	0.0139
Brugia malayi	G-protein alpha subunit	0.0014	0.0093	0.0093
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0166	0.0249
Trypanosoma cruzi	cysteine protease, putative	0.0012	0.0046	0.0241
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0121	0.0104
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0166	0.0166
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0014	0.0093	0.0139
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0.0158	0.0983
Echinococcus granulosus	calpain	0.0058	0.1024	0.1532
Echinococcus granulosus	calpain A	0.0159	0.3196	0.4782
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0281	0.0281
Entamoeba histolytica	G protein alpha subunit, putative	0.0014	0.0093	0.1116
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0166	0.0249
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0121	0.0104
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0058	0.1024	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0014	0.0093	0.0139
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Loa Loa (eye worm)	ctsf protein	0.0023	0.0281	0.0281
Leishmania major	cathepsin L-like protease	0.0023	0.0281	0.1423
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0058	0.1024	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0023	0.0281	0.207
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.1434
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0014	0.0093	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0112	0.2191	0.2191
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0323	0.6684	0.6684
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0017	0.0166	0.0093
Echinococcus granulosus	programmed cell death protein	0.0011	0.0022	0.0033
Trichomonas vaginalis	calpain, putative	0.0017	0.0166	0.0151
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0166	0.0249
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0159	0.3196	0.4782
Leishmania major	hypothetical protein, unknown function	0.0017	0.0166	0.0093
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0014	0.0093	0.0139
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0012	0.0046	0.0241
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Entamoeba histolytica	protein kinase, putative	0.004	0.0655	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.3919	0.3919
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0158	0.0236
Onchocerca volvulus		0.0014	0.0093	0.0093
Trypanosoma cruzi	conserved protein	0.0017	0.0166	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Brugia malayi	calpain 5	0.0017	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0121	0.0121
Loa Loa (eye worm)	transcription factor SMAD2	0.0254	0.5213	0.5213
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0014	0.0093	0.0139
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Echinococcus multilocularis	cathepsin L	0.0012	0.0046	0.0069
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0058	0.1024	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Echinococcus granulosus	cathepsin l1	0.0023	0.0281	0.0421
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0158	0.0158
Echinococcus multilocularis	programmed cell death protein	0.0011	0.0022	0.0033
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0014	0.0093	0.0139
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0014	0.0093	0.0139
Trypanosoma cruzi	kinesin, putative	0.004	0.0655	0.6318
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0121	0.0121
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0158	0.0236
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0281	0.2584
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0158	0.0236
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0323	0.6684	1
Entamoeba histolytica	cysteine protease, putative	0.0012	0.0046	0.0381
Plasmodium vivax	vivapain-2	0.0023	0.0281	0.207
Trichomonas vaginalis	Clan CA, family C2, calpain-like cysteine peptidase	0.0017	0.0166	0.0151
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0158	0.0236
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0014	0.0093	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0281	0.2584
Loa Loa (eye worm)	cysteine protease	0.0023	0.0281	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0093	0.0093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Toxoplasma gondii	calpain family cysteine protease domain-containing protein	0.0017	0.0166	0.1406
Onchocerca volvulus		0.0023	0.0281	0.0281
Brugia malayi	Papain family cysteine protease containing protein	0.0012	0.0046	0.0046
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0281	0.0272
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0281	0.0272
Trypanosoma cruzi	kinesin, putative	0.004	0.0655	0.6318

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -8.2	Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]-iodosulpride displacement.	ChEMBL.	9873637
Ki (binding)	= -6.6	Binding affinity at Dopamine receptor D2 expressed in CHO cells by [125I]-iodosulpride displacement.	ChEMBL.	9873637
Log Ki (binding)	= 6.6	Binding affinity at Dopamine receptor D2 expressed in CHO cells by [125I]-iodosulpride displacement.	ChEMBL.	9873637
Log Ki (binding)	= 8.2	Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]-iodosulpride displacement.	ChEMBL.	9873637
Ratio (binding)	= 45	Selectivity of binding affinities at D3 receptor and D2 receptors	ChEMBL.	9873637

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: CHEMBL318925

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 159956