TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 463.959 | Formula: C25H26ClN5O2
H donors: 2 H acceptors: 2 LogP: 4.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cc([nH]2)c1ccccc1C
InChi: 1S/C25H26ClN5O2/c1-17-6-2-3-7-18(17)21-16-19-23(27-21)28-25(33)31(24(19)32)15-12-29-10-13-30(14-11-29)22-9-5-4-8-20(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
InChiKey: BUGWHHJMDZILIY-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	adrenoceptor alpha 1B		References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1D		References
Homo sapiens	dopamine receptor D1	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor alpha 1A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	5-hydroxytryptamine receptor 1, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0131	0.1475	0.3815
Entamoeba histolytica	hypothetical protein	0.0035	0.0231	0.2022
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0315	0.3863	1
Brugia malayi	Sars1 protein	0.0034	0.0216	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0291	0.0753
Schistosoma mansoni	glycyl-tRNA synthetase	0.011	0.1212	0.2331
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	Sars1 protein	0.0034	0.0216	0.056
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.4422
Entamoeba histolytica	glycyl-tRNA synthetase, putative	0.0085	0.0876	0.8049
Plasmodium falciparum	threonine--tRNA ligase	0.0085	0.0876	0.2703
Schistosoma mansoni	ap endonuclease	0.0018	0.0014	0.0026
Leishmania major	dihydroorotate dehydrogenase	0.0168	0.1963	1
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0168	0.1963	1
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0101	0.1085	0.2807
Brugia malayi	Bromodomain containing protein	0.0073	0.0723	0.1869
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0354	0.0679
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0231	0.023
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0231	0.0718
Echinococcus multilocularis	zinc finger protein	0.0019	0.0024	0.0023
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0017	0.0001	0.0003
Echinococcus multilocularis	serotonin receptor	0.0164	0.1911	0.191
Onchocerca volvulus		0.0017	0.0001	0.5
Plasmodium vivax	proline--tRNA ligase, putative	0.0264	0.3203	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0101	0.1085	0.5494
Schistosoma mansoni	hypothetical protein	0.0035	0.0231	0.0442
Trichomonas vaginalis	glycyl-tRNA synthetase, putative	0.0034	0.0216	0.1885
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0315	0.3863	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0101	0.1085	0.5494
Leishmania major	seryl-tRNA synthetase, putative	0.0034	0.0216	0.1035
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.5757
Trichomonas vaginalis	interferon-induced, double-stranded RNA-activated protein kinase, putative	0.0051	0.0437	0.395
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0354	0.0916
Trypanosoma brucei	seryl-tRNA synthetase	0.0034	0.0216	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1911	0.4947
Entamoeba histolytica	seryl-tRNA synthetase, putative	0.0034	0.0216	0.1885
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1085	0.2809
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0017	0.0001	0.0003
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0085	0.0876	0.4422
Trypanosoma cruzi	glycyl-tRNA synthetase, putative	0.0051	0.0437	0.217
Giardia lamblia	Seryl-tRNA synthetase	0.0034	0.0216	0.1885
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Brugia malayi	hypothetical protein	0.0035	0.0231	0.0595
Loa Loa (eye worm)	neuropeptide F receptor	0.0017	0.0001	0.0003
Schistosoma mansoni	bromodomain containing protein	0.0061	0.0575	0.1105
Wolbachia endosymbiont of Brugia malayi	seryl-tRNA synthetase	0.0034	0.0216	0.0524
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0085	0.0876	0.2266
Trichomonas vaginalis	seryl-tRNA synthetase, putative	0.0034	0.0216	0.1885
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0085	0.0876	0.2239
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus		0.0017	0.0001	0.5
Echinococcus granulosus	glycyl tRNA synthetase	0.011	0.1212	0.3782
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0354	0.0679
Mycobacterium tuberculosis	Probable prolyl-tRNA synthetase ProS (proline--tRNA ligase) (PRORS) (global RNA synthesis factor) (proline translase)	0.023	0.2764	1
Onchocerca volvulus		0.0017	0.0001	0.5
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.4422
Leishmania major	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.4422
Brugia malayi	PHD-finger family protein	0.0024	0.0091	0.0234
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.5757
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0085	0.0876	0.2268
Loa Loa (eye worm)	melatonin receptor type 1A	0.0017	0.0001	0.0003
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0168	0.1963	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.5757
Loa Loa (eye worm)	G-protein coupled receptor	0.0017	0.0001	0.0003
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.4422
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0168	0.1963	0.6112
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0164	0.1911	0.3676
Loa Loa (eye worm)	seryl-tRNA synthetase	0.0034	0.0216	0.056
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0105	0.1139	0.1138
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0014	0.0013
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0061	0.0061
Trichomonas vaginalis	seryl-tRNA synthetase, putative	0.0034	0.0216	0.1885
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0229
Onchocerca volvulus		0.0017	0.0001	0.5
Chlamydia trachomatis	proline--tRNA ligase	0.0315	0.3863	1
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0085	0.0876	0.2733
Entamoeba histolytica	hypothetical protein	0.0035	0.0231	0.2022
Onchocerca volvulus		0.0017	0.0001	0.5
Giardia lamblia	Glycyl-tRNA synthetase	0.0085	0.0876	0.8049
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus multilocularis	seryl tRNA synthetase, mitochondrial	0.0034	0.0216	0.0215
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0105	0.1139	0.219
Onchocerca volvulus		0.0017	0.0001	0.5
Schistosoma mansoni	threonyl-tRNA synthetase	0.0034	0.0216	0.0414
Treponema pallidum	seryl-tRNA synthetase	0.0034	0.0216	0.0524
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0168	0.1963	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0066	0.0631	0.063
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0061	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1911	0.4947
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Schistosoma mansoni	prolyl-tRNA synthetase	0.0264	0.3203	0.6163
Schistosoma mansoni	seryl-tRNA synthetase	0.0034	0.0216	0.0414
Plasmodium falciparum	serine--tRNA ligase, putative	0.0034	0.0216	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus		0.0017	0.0001	0.5
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0168	0.1963	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0354	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Wolbachia endosymbiont of Brugia malayi	histidyl-tRNA synthetase	0.0051	0.0437	0.1099
Plasmodium falciparum	histidine--tRNA ligase, putative	0.0051	0.0437	0.1326
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0669	0.1731
Toxoplasma gondii	seryl-tRNA synthetase, cytoplasmic, putative	0.0034	0.0216	0.1035
Plasmodium vivax	serine--tRNA ligase, putative	0.0034	0.0216	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Schistosoma mansoni	amine GPCR	0.0417	0.5196	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0101	0.1085	0.5494
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0261	0.0676
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0066	0.0631	0.1967
Mycobacterium ulcerans	seryl-tRNA synthetase	0.0034	0.0216	0.0524
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0168	0.1963	0.5081
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0101	0.1085	0.5494
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0105	0.1139	0.219
Wolbachia endosymbiont of Brugia malayi	prolyl-tRNA synthetase	0.0315	0.3863	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.5757
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0037	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1085	0.2809
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Schistosoma mansoni	threonyl-tRNA synthetase	0.0051	0.0437	0.084
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus multilocularis	Seryl tRNA Synthetase	0.0034	0.0216	0.0215
Treponema pallidum	glycyl-tRNA synthetase	0.0051	0.0437	0.1099
Plasmodium vivax	serine--tRNA ligase, putative	0.0034	0.0216	0.0633
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0038	0.0272	0.0705
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0354	0.1102
Toxoplasma gondii	anticodon binding domain-containing protein	0.0051	0.0437	0.217
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0354	0.0353
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0101	0.1085	0.5494
Loa Loa (eye worm)	G-protein coupled receptor	0.0017	0.0001	0.0003
Entamoeba histolytica	histidyl-tRNA synthetase, putative	0.0051	0.0437	0.395
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0014	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Plasmodium vivax	proline--tRNA ligase, putative	0.0101	0.1085	0.3358
Brugia malayi	glycyl-tRNA synthetase	0.011	0.1212	0.3135
Entamoeba histolytica	seryl-tRNA synthetase, putative	0.0034	0.0216	0.1885
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Onchocerca volvulus		0.0017	0.0001	0.5
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0101	0.1085	1
Loa Loa (eye worm)	TYRA-2 protein	0.0017	0.0001	0.0003
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0085	0.0876	0.3134
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Leishmania major	glycyl tRNA synthetase, putative	0.0051	0.0437	0.217
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0105	0.1139	0.3553
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus multilocularis	serotonin receptor	0.0164	0.1911	0.191
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.3163
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0168	0.1963	1
Plasmodium vivax	glycine--tRNA ligase, putative	0.0085	0.0876	0.2703
Loa Loa (eye worm)	neuropeptide F receptor	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Brugia malayi	Bromodomain containing protein	0.0037	0.026	0.0671
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0066	0.0631	0.5757
Toxoplasma gondii	serine--tRNA ligase	0.0034	0.0216	0.1035
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0014	0.0042
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0315	0.0815
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Entamoeba histolytica	hypothetical protein	0.0035	0.0231	0.2022
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0168	0.1963	0.5063
Echinococcus multilocularis	glycyl tRNA synthetase	0.011	0.1212	0.1211
Schistosoma mansoni	histidyl-tRNA synthetase	0.0051	0.0437	0.084
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0231	0.0442
Plasmodium falciparum	glycine--tRNA ligase	0.0051	0.0437	0.1326
Schistosoma mansoni	zinc finger protein	0.0019	0.0024	0.0044
Brugia malayi	seryl-tRNA synthetase, mitochondrial precursor, putative	0.0034	0.0216	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0315	0.3863	1
Plasmodium falciparum	serine--tRNA ligase, putative	0.0034	0.0216	0.0633
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0066	0.0631	0.5757
Echinococcus granulosus	biogenic amine 5HT receptor	0.0164	0.1911	0.5965
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Giardia lamblia	Threonyl-tRNA synthetase	0.0085	0.0876	0.8049
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0168	0.1963	0.5081
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0066	0.0631	0.1967
Schistosoma mansoni	hypothetical protein	0.002	0.0037	0.007
Onchocerca volvulus		0.0017	0.0001	0.5
Plasmodium falciparum	proline--tRNA ligase	0.0101	0.1085	0.3358
Schistosoma mansoni	ap endonuclease	0.0018	0.0014	0.0026
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.8049
Trypanosoma cruzi	histidyl-tRNA synthetase	0.0051	0.0437	0.217
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0101	0.1085	1
Brugia malayi	Zinc finger, C2H2 type family protein	0.0066	0.0631	0.1631
Plasmodium vivax	histidine--tRNA ligase, putative	0.0051	0.0437	0.1326
Onchocerca volvulus		0.0017	0.0001	0.5
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.011	0.1212	0.3137
Wolbachia endosymbiont of Brugia malayi	threonyl-tRNA synthetase	0.0085	0.0876	0.2239
Brugia malayi	Met-10+ like-protein	0.023	0.2764	0.7155
Leishmania major	histidyl-tRNA synthetase, putative	0.0051	0.0437	0.217
Echinococcus granulosus	zinc finger protein	0.0019	0.0024	0.0072
Giardia lamblia	Prolyl-tRNA synthetase	0.0101	0.1085	1
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0085	0.0876	0.8049
Trypanosoma cruzi	glycyl-tRNA synthetase, putative	0.0051	0.0437	0.217
Plasmodium falciparum	proline--tRNA ligase, putative	0.0264	0.3203	1
Echinococcus granulosus	prolyl tRNA synthetase mitochondrial	0.0264	0.3203	1
Echinococcus granulosus	seryl tRNA synthetase mitochondrial	0.0034	0.0216	0.0672
Schistosoma mansoni	histidyl-tRNA synthetase	0.0051	0.0437	0.084
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus granulosus	Seryl tRNA Synthetase	0.0034	0.0216	0.0672
Plasmodium vivax	threonine--tRNA ligase, putative	0.0085	0.0876	0.2703
Chlamydia trachomatis	histidine--tRNA ligase	0.0051	0.0437	0.0606
Echinococcus granulosus	histidyl tRNA synthetase	0.0051	0.0437	0.1363
Treponema pallidum	threonyl-tRNA synthetase	0.0085	0.0876	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0168	0.1963	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0101	0.1085	0.1922
Schistosoma mansoni	seryl-tRNA synthetase	0.0034	0.0216	0.0414
Echinococcus multilocularis	prolyl tRNA synthetase, mitochondrial	0.0264	0.3203	0.3202
Toxoplasma gondii	histidyl-tRNA synthetase (HisRS), putative	0.0051	0.0437	0.217
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0066	0.0631	0.063
Trypanosoma brucei	histidyl-tRNA synthetase	0.0051	0.0437	0.217
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0085	0.0876	0.2239
Trypanosoma cruzi	seryl-tRNA synthetase	0.0034	0.0216	0.1035
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0354	0.0353
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.053	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0061	0.0189
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0017	0.0001	0.0003
Toxoplasma gondii	tRNA ligase class II core domain (G, H, P, S and T) domain-containing protein	0.0034	0.0216	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Treponema pallidum	prolyl-tRNA synthetase	0.0315	0.3863	1
Mycobacterium ulcerans	histidyl-tRNA synthetase	0.0051	0.0437	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0085	0.0876	0.0875
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.053	0.1652
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0354	0.0679
Trichomonas vaginalis	glycyl-tRNA synthetase, putative	0.0051	0.0437	0.395
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0017	0.0001	0.0003
Chlamydia trachomatis	threonine--tRNA ligase	0.0085	0.0876	0.181
Echinococcus multilocularis	histidyl tRNA synthetase	0.0051	0.0437	0.0436
Onchocerca volvulus		0.0017	0.0001	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0354	0.1102
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.023	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0066	0.0631	0.5757
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0003
Toxoplasma gondii	glycyl-tRNA synthetase	0.0085	0.0876	0.4422
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0168	0.1963	0.3777
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0101	0.1085	0.5494
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0014	0.0037
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0085	0.0876	0.4422
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0168	0.1963	0.6112
Entamoeba histolytica	hypothetical protein	0.0035	0.0231	0.2022
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0168	0.1963	0.5063
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0168	0.1963	0.7087
Loa Loa (eye worm)	histidyl-tRNA synthetase	0.0051	0.0437	0.1132

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.8 nM	Binding affinity to adrenergic alpha1 receptor	ChEMBL.	16216506
Ki (binding)	= 2.8 nM	Binding affinity to adrenergic alpha1 receptor	ChEMBL.	16216506
Ki (binding)	= 626.5 nM	Binding affinity to dopamine D2 receptor	ChEMBL.	16216506
Ki (binding)	= 626.5 nM	Binding affinity to dopamine D2 receptor	ChEMBL.	16216506
Ki (binding)	= 1040 nM	Binding affinity to dopamine D1 receptor	ChEMBL.	16216506
Ki (binding)	= 1040 nM	Binding affinity to dopamine D1 receptor	ChEMBL.	16216506
Ki (binding)	= 1450 nM	Binding affinity to 5HT1A	ChEMBL.	16216506
Ki (binding)	= 1450 nM	Binding affinity to 5HT1A	ChEMBL.	16216506
Ratio Ki (binding)	= 224	Selectivity for dopamine D2 over adrenergic alpha1 receptor	ChEMBL.	16216506
Ratio Ki (binding)	= 371	Selectivity for dopamine D1 over adrenergic alpha1 receptor	ChEMBL.	16216506
Ratio Ki (binding)	= 518	Selectivity for 5HT1A over adrenergic alpha1 receptor	ChEMBL.	16216506

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: CHEMBL200802

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 348455