TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.582 | Formula: C28H34N2O
H donors: 1 H acceptors: 1 LogP: 5.85 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCN([C@H]1CCC(=CC1)C#C)CCCCNC(=O)c1ccc(cc1)c1ccccc1
InChi: 1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
InChiKey: PWZPBZQTTHOCIS-HHHXNRCGSA-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 D4	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D1	Starlite/ChEMBL	References
Sus scrofa	Dopamine D1 receptor	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Schistosoma japonicum	5-hydroxytryptamine receptor 1, putative	Get druggable targets OG5_132667	All targets in OG5_132667

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Dopamine D1 receptor	446 aa	406 aa	33.7 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D1 receptor	446 aa	373 aa	27.1 %
Echinococcus multilocularis	g protein coupled receptor	Dopamine D1 receptor	446 aa	387 aa	20.4 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D1 receptor	446 aa	364 aa	35.2 %
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %
Echinococcus granulosus	g protein coupled receptor	Dopamine D1 receptor	446 aa	387 aa	20.4 %
Onchocerca volvulus		Dopamine D1 receptor	446 aa	357 aa	21.3 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D1 receptor	446 aa	370 aa	24.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Schistosoma mansoni	hypothetical protein	0.0036	0.002	0.002
Giardia lamblia	High cysteine protein	0.0074	0.0178	0.5
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0195	0.0674	0.0674
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus multilocularis	protein jagged 1	0.0074	0.0178	0.0465
Echinococcus multilocularis	glycoprotein Antigen 5	0.0036	0.002	0.0051
Schistosoma mansoni	dihydroorotate dehydrogenase	0.2457	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0041	0.0041
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0314	0.1165	0.1165
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Echinococcus multilocularis	laminin	0.0195	0.0674	0.1761
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0134	0.115
Echinococcus granulosus	protein jagged 2	0.0074	0.0178	0.0465
Echinococcus granulosus	slit 2 protein	0.0074	0.0178	0.0465
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Echinococcus multilocularis	multidrug resistance protein 1	0.0064	0.0134	0.035
Echinococcus granulosus	multidrug resistance protein 1	0.0064	0.0134	0.035
Echinococcus granulosus	notch	0.0074	0.0178	0.0465
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0195	0.0674	0.5786
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Onchocerca volvulus		0.0036	0.002	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0674	0.5786
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0036	0.002	0.0051
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Onchocerca volvulus		0.0074	0.0178	0.2643
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.2457	1	0.5
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.096	0.3827	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0063	0.0131	0.0343
Echinococcus granulosus	multidrug resistance protein 1	0.0064	0.0134	0.035
Echinococcus granulosus	neurogenic locus notch protein	0.0074	0.0178	0.0465
Brugia malayi	Fibulin-1 precursor	0.0195	0.0674	0.0674
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Brugia malayi	Cadherin domain containing protein	0.0074	0.0178	0.0178
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.096	0.3827	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0044	0.0055	0.0099
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0064	0.0134	0.035
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0007	0.0058
Echinococcus multilocularis	neurogenic locus protein delta	0.0074	0.0178	0.0465
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0064	0.0134	0.035
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.096	0.3827	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0027	0.0027
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0195	0.0674	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0131	0.1126
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0195	0.0674	0.0674
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0064	0.0134	0.035
Echinococcus granulosus	multidrug resistance protein 1	0.0044	0.0055	0.0144
Echinococcus multilocularis	neurogenic locus notch protein	0.0074	0.0178	0.0465
Leishmania major	dihydroorotate dehydrogenase	0.2457	1	1
Onchocerca volvulus	Slit protein homolog	0.0074	0.0178	0.2643
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0134	0.0307
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Onchocerca volvulus		0.0036	0.002	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0134	0.0307
Echinococcus multilocularis	serotonin receptor	0.0314	0.1165	0.3044
Schistosoma mansoni	multidrug resistance protein	0.0064	0.0134	0.0134
Schistosoma mansoni	laminin gamma-3 chain	0.0074	0.0178	0.0178
Schistosoma mansoni	multidrug resistance protein	0.0064	0.0134	0.0134
Schistosoma mansoni	egf-like domain protein	0.0195	0.0674	0.0674
Echinococcus granulosus	Mastin	0.0036	0.002	0.0051
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0064	0.0134	0.035
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Onchocerca volvulus		0.0074	0.0178	0.2643
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus granulosus	biogenic amine 5HT receptor	0.0314	0.1165	0.3044
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Brugia malayi	GCC2 and GCC3 family protein	0.0074	0.0178	0.0178
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.096	0.3827	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.0041	0.0041
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Trichomonas vaginalis	abcb9, putative	0.0064	0.0134	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Schistosoma mansoni	septate junction protein	0.0074	0.0178	0.0178
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0134	0.0307
Echinococcus granulosus	transmembrane protease serine 3	0.0036	0.002	0.0051
Schistosoma mansoni	slit	0.0074	0.0178	0.0178
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.2457	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.096	0.3827	1
Trichomonas vaginalis	abcb9, putative	0.0064	0.0134	0.0307
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.096	0.3827	1
Brugia malayi	hypothetical protein	0.0036	0.002	0.002
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.2457	1	1
Loa Loa (eye worm)	hypothetical protein	0.0314	0.1165	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0064	0.0134	0.115
Onchocerca volvulus		0.0074	0.0178	0.2643
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0064	0.0134	0.035
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Plasmodium falciparum	dihydroorotate dehydrogenase	0.2457	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Brugia malayi	Calcium binding EGF domain containing protein	0.0195	0.0674	0.0674
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0074	0.0178	0.0178
Trichomonas vaginalis	ABC transporter, putative	0.0064	0.0134	0.0307
Onchocerca volvulus		0.0036	0.002	0.0292
Echinococcus granulosus	neurogenic locus notch protein 4	0.0074	0.0178	0.0465
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.2457	1	1
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Echinococcus multilocularis	slit 2 protein	0.0074	0.0178	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Brugia malayi	multidrug resistance protein 3	0.0064	0.0134	0.0134
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Brugia malayi	Trypsin family protein	0.0036	0.002	0.002
Echinococcus multilocularis	protein jagged 1	0.0074	0.0178	0.0465
Brugia malayi	Trypsin family protein	0.0036	0.002	0.002
Brugia malayi	Cadherin domain containing protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0674	0.5786
Echinococcus granulosus	laminin	0.0195	0.0674	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Echinococcus multilocularis	neurogenic locus protein delta	0.0074	0.0178	0.0465
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0074	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0314	0.1165	1
Trichomonas vaginalis	ABC transporter, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0064	0.0134	0.035
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0064	0.0134	0.035
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.2457	1	1
Toxoplasma gondii	EGF family domain-containing protein	0.0074	0.0178	0.0045
Schistosoma mansoni	smdr2	0.0064	0.0134	0.0134
Onchocerca volvulus		0.0064	0.0134	0.1988
Echinococcus granulosus	delta-like protein 1	0.0074	0.0178	0.0465
Onchocerca volvulus		0.0036	0.002	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0674	0.5786
Onchocerca volvulus	Putative cubilin	0.0074	0.0178	0.2643
Echinococcus granulosus	fibropellin Ia	0.0074	0.0178	0.0465
Echinococcus multilocularis	neurogenic locus notch protein	0.0074	0.0178	0.0465
Echinococcus multilocularis	Mastin	0.0036	0.002	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0036	0.002	0.0051
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0195	0.0674	0.0547
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.2457	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0134	0.115
Echinococcus multilocularis	multidrug resistance protein 1	0.0064	0.0134	0.035
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.2457	1	1
Echinococcus multilocularis	protein jagged 2	0.0074	0.0178	0.0465
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0064	0.0134	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	Notch2	0.0074	0.0178	0.1529
Echinococcus multilocularis	multidrug resistance protein 1	0.0044	0.0055	0.0144
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0027	0.0071
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0074	0.0178	0.0465
Brugia malayi	notch-like transmembrane receptor	0.0074	0.0178	0.0178
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0036	0.002	0.002
Schistosoma mansoni	cell polarity protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus granulosus	neural cadherin	0.0074	0.0178	0.0465
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Echinococcus granulosus	multidrug resistance protein 1	0.0064	0.0134	0.035
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0074	0.0178	0.2643
Onchocerca volvulus	Arrow homolog	0.0195	0.0674	1
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.2457	1	0.5
Onchocerca volvulus		0.0036	0.002	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus multilocularis	notch	0.0074	0.0178	0.0465
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0064	0.0134	0.0307
Echinococcus granulosus	protein jagged 2	0.0074	0.0178	0.0465
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Echinococcus granulosus	neurogenic locus notch protein	0.0074	0.0178	0.0465
Echinococcus multilocularis	fibrillin 1	0.0195	0.0674	0.1761
Brugia malayi	Zinc finger, C2H2 type family protein	0.096	0.3827	0.3827
Echinococcus multilocularis	transmembrane protease serine 3	0.0036	0.002	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.096	0.3827	1
Echinococcus multilocularis	enteropeptidase	0.0036	0.002	0.0051
Brugia malayi	Trypsin-like protease protein 5	0.0036	0.002	0.002
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0064	0.0134	0.035
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0036	0.002	0.002
Echinococcus granulosus	multidrug resistance protein 1	0.0044	0.0055	0.0144
Loa Loa (eye worm)	notch protein	0.0074	0.0178	0.1529
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.096	0.3827	1
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.2457	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Onchocerca volvulus		0.0074	0.0178	0.2643
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0674	0.5786
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus granulosus	protein jagged 1	0.0074	0.0178	0.0465
Brugia malayi	Trypsin family protein	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.0051
Echinococcus granulosus	protein jagged 1	0.0074	0.0178	0.0465
Brugia malayi	Delta serrate ligand family protein	0.0074	0.0178	0.0178
Trichomonas vaginalis	ABC transporter, putative	0.0064	0.0134	0.0307
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Schistosoma mansoni	notch	0.0074	0.0178	0.0178
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0074	0.0178	0.0465
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0063	0.0131	0.0343
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0195	0.0674	0.5786
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0036	0.002	0.002
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0036	0.002	0.002
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0178	0.0178
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0036	0.002	0.0051
Echinococcus multilocularis	Tolloid protein 1	0.0195	0.0674	0.1761
Brugia malayi	EGF-like domain containing protein	0.0074	0.0178	0.0178
Brugia malayi	Muscle positioning protein 4	0.0074	0.0178	0.0178
Echinococcus granulosus	Tolloid protein 1	0.0195	0.0674	0.1761
Onchocerca volvulus		0.0036	0.002	0.0292
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.096	0.3827	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0064	0.0134	0.0307
Echinococcus multilocularis	fibropellin Ia	0.0074	0.0178	0.0465
Brugia malayi	Trypsin family protein	0.0036	0.002	0.002
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0064	0.0134	0.115
Onchocerca volvulus		0.0074	0.0178	0.2643
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0027	0.0071
Echinococcus multilocularis	neural cadherin	0.0074	0.0178	0.0465
Echinococcus granulosus	glycoprotein Antigen 5	0.0036	0.002	0.0051
Echinococcus granulosus	enteropeptidase	0.0036	0.002	0.0051
Schistosoma mansoni	cercarial elastase (S01 family)	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0064	0.0134	0.035
Trichomonas vaginalis	ABC transporter, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0064	0.0134	0.0307
Echinococcus multilocularis	serotonin receptor	0.0314	0.1165	0.3044
Trichomonas vaginalis	abcb9, putative	0.0064	0.0134	0.0307
Trichomonas vaginalis	taga, putative	0.0064	0.0134	0.0307
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.2457	1	1
Schistosoma mansoni	multidrug resistance protein	0.0064	0.0134	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0195	0.0674	0.5786
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.096	0.3827	1
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.2457	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0027	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Loa Loa (eye worm)	trypsin family protein	0.0036	0.002	0.0169
Brugia malayi	Calcium binding EGF domain containing protein	0.0074	0.0178	0.0178
Schistosoma mansoni	hypothetical protein	0.0074	0.0178	0.0178
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0195	0.0674	0.5786
Brugia malayi	ABC transporter family protein	0.0064	0.0134	0.0134
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.096	0.3827	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0074	0.0178	0.2643
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0178	0.1529
Echinococcus granulosus	neurogenic locus protein delta	0.0074	0.0178	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.0169
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0064	0.0134	0.0307

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 16 nM	Agonist activity at ARMS2-PK2-tagged human dopamine D2S receptor expressed in HEK293 cells co-expressing (EA)-tagged beta arrestin fusion protein assessed as recruitment of beta-arrestin-2 after 5 hrs by chemiluminescence assay	ChEMBL.	25734236
EC50 (binding)	= 92 nM	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay	ChEMBL.	25734236
EC50 (binding)	= 130 nM	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay	ChEMBL.	25734236
EC50 (binding)	= 1300 nM	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay	ChEMBL.	25734236
EC50 (binding)	= 1500 nM	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay	ChEMBL.	25734236
Emax (binding)	= 23 %	Intrinsic activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cells co-expressing Galphai2 assessed as stimulation of [32S]-GTPgammaS binding after 30 mins relative to quinpirole	ChEMBL.	23730937
Emax (binding)	= 53 %	Intrinsic activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cells co-expressing Galphao1 assessed as stimulation of [32S]-GTPgammaS binding after 30 mins relative to quinpirole	ChEMBL.	23730937
Emax (binding)	= 62 %	Agonist activity at dopamine D2S receptor (unknown origin) expressed in HEK293 cells assessed as beta-arrestin-2 recruitment after 20 hrs by PathHunter assay relative to quinpirole	ChEMBL.	23730937
Emax (binding)	= 62 %	Intrinsic activity at dopamine D2L receptor (unknown origin) expressed in HEK293 cells co-expressing Galphao1 assessed as stimulation of [32S]-GTPgammaS binding after 30 mins relative to quinpirole	ChEMBL.	23730937
Emax (binding)	= 76 %	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay relative to quinpirole	ChEMBL.	25734236
Emax (binding)	= 78 %	Intrinsic activity at dopamine D2L receptor (unknown origin) expressed in HEK293 cells co-expressing Galphai2 assessed as stimulation of [32S]-GTPgammaS binding after 30 mins relative to quinpirole	ChEMBL.	23730937
Emax (binding)	= 92 %	Intrinsic activity at human dopamine D2L receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay relative to quinpirole	ChEMBL.	25734236
Emax (binding)	= 93 %	Agonist activity at ARMS2-PK2-tagged human dopamine D2S receptor expressed in HEK293 cells co-expressing (EA)-tagged beta arrestin fusion protein assessed as recruitment of beta-arrestin-2 after 5 hrs by chemiluminescence assay relative to quinpirole	ChEMBL.	25734236
Emax (binding)	= 100 %	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galphai2 assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay relative to quinpirole	ChEMBL.	25734236
Emax (binding)	= 104 %	Intrinsic activity at human dopamine D2S receptor expressed in HEK293 cells co-transfected with Galpha0i assessed as [35S]GTPgammaS binding after 30 mins by [35S]GTPgammaS incorporation assay relative to quinpirole	ChEMBL.	25734236
Ki (binding)		Displacement of [3H]SCH23390 from human dopamine D5 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 0.17 nM	Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells	ChEMBL.	23730937
Ki (binding)	= 1 nM	Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 1.2 nM	Displacement of [3H]7-OH-DPAT from human dopamine D2L receptor expressed in CHO cells	ChEMBL.	23730937
Ki (binding)	= 3.9 nM	Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 9.4 nM	Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 11 nM	Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO cells	ChEMBL.	23730937
Ki (binding)	= 14 nM	Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells	ChEMBL.	23730937
Ki (binding)	= 21 nM	Displacement of [3H]spiperone from human dopamine D2S receptor expressed in CHO cells	ChEMBL.	23730937
Ki (binding)	= 30 nM	Displacement of [3H]spiperone from human dopamine D4.4 receptor transfected in CHO cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 190 nM	Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine striatal membranes	ChEMBL.	23730937
Ki (binding)	= 9000 nM	Displacement of [3H]ketanserin from human 5-HT2A receptor transfected in HEK293 cells by scintillation counting analysis	ChEMBL.	25734236
Ki (binding)	= 13000 nM	Displacement of [3H]SCH23390 from human dopamine D1 receptor transfected in HEK293 cells after 1 hr by scintillation counting analysis	ChEMBL.	25734236

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.

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External resources for this compound

ChEMBL: CHEMBL2396663

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1762085