TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.396 | Formula: C20H20F2N4O
H donors: 0 H acceptors: 2 LogP: 3.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)F)CCN1CCN(CC1)C(=O)c1cccn2c1ncc2
InChi: 1S/C20H20F2N4O/c21-16-4-3-15(18(22)14-16)5-8-24-10-12-26(13-11-24)20(27)17-2-1-7-25-9-6-23-19(17)25/h1-4,6-7,9,14H,5,8,10-13H2
InChiKey: USTBGZUJKCBYAR-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	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Serotonin receptor	Get druggable targets OG5_135430	All targets in OG5_135430
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858

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
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0437	0.7618	0.7822
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0548	0.9739	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0186	0.282	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0014
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.013	0.1754	0.1801
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0096	0.1117	0.1147
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0106	0.1297	0.1332
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0138	0.0141
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0083	0.0867	0.0867
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0138	0.0141
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0047	0.0182	0.0187
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0047	0.0182	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0548	0.9739	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0047	0.0182	1
Plasmodium vivax	protein kinase Crk2	0.0045	0.0138	0.7561
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0204	0.021
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0229	0.3653	0.375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1297	0.1332
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0126	0.0129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.7609	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0357	0.6087	0.625
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0408	0.7072	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.4941	0.5074
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0468	0.8217	0.8437
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0106	0.1297	0.1332
Giardia lamblia	Kinase, CMGC CDK	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Entamoeba histolytica	protein kinase rad3, putative	0.0106	0.1297	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.007	0.0072
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0138	0.0141
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0077	0.0748	0.0768
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0047	0.0182	0.0187
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0067	0.0551	0.0566
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0548	0.9739	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0548	0.9739	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0548	0.9739	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.282	0.2895
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0106	0.1297	0.1332
Trypanosoma cruzi	cdc2-related kinase 3	0.0045	0.0138	0.0141
Echinococcus granulosus	cyclin dependent kinase	0.0045	0.0138	0.0141
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0045	0.0138	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1117	0.1147
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.013	0.1754	0.1801
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.495	0.5082
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0548	0.9739	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0045	0.0138	0.0141
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0138	0.0141
Echinococcus granulosus	serine protein kinase ATM	0.0106	0.1297	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.7609	0.7813
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.4941	0.5074
Echinococcus granulosus	cyclin dependent kinase 1	0.0045	0.0138	0.0141
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0186	0.282	0.2895
Echinococcus granulosus	cyclin dependent kinase 5	0.0045	0.0138	0.0141
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0138	0.0141
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0045	0.0138	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1522	0.1563
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0186	0.282	0.2895
Entamoeba histolytica	hypothetical protein	0.011	0.1385	0.1422
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0047	0.0182	0.0257
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1297	0.1332
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.01	0.1188	0.122
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0047	0.0182	0.0187
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.013	0.1754	0.1801
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0068	0.0572	0.0587
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0096	0.1117	0.1147
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.007	0.0072
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0068	0.0572	0.0587
Schistosoma mansoni	serine/threonine protein kinase	0.0045	0.0138	0.0141
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.1297	0.1297
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0548	0.9739	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0186	0.282	0.2895
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0204	0.021
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0126	0.0129
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0067	0.0551	0.0551
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0045	0.0138	0.0141
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0548	0.9739	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0047	0.0182	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0126	0.0126
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.026	0.4252	0.4366
Brugia malayi	FAT domain containing protein	0.008	0.0797	0.0797
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0047	0.0182	0.0187
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0106	0.1297	0.1297
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0186	0.282	0.282
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.2122	0.2178
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0548	0.9739	1
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0057	0.0369	0.0379
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0186	0.282	0.2895
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0067	0.0551	0.0566
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.013	0.1754	0.1754
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0548	0.9739	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0368	0.6312	0.6481
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0186	0.282	0.2895
Echinococcus multilocularis	serine protein kinase ATM	0.0106	0.1297	0.1332
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0047	0.0182	0.0187
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0138	0.0141
Toxoplasma gondii	FATC domain-containing protein	0.0106	0.1297	0.1835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.282	0.2895
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0797	0.0818
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0047	0.0182	0.0187
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0186	0.282	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0328	0.5549	0.5698
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0186	0.282	0.2895
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0126	0.0129
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0118	0.1522	0.2153
Entamoeba histolytica	hypothetical protein	0.0106	0.1297	0.1332
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0067	0.0551	0.0566
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0047	0.0182	0.0257
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.495	0.5082
Trypanosoma cruzi	target of rapamycin kinase 3	0.0437	0.7618	0.7822
Brugia malayi	Protein kinase domain containing protein	0.0045	0.0138	0.0138
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.013	0.1754	0.1801
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.013	0.1754	0.1801
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.5488	0.5634
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1297	0.1332
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0548	0.9739	1
Echinococcus multilocularis	cyclin dependent kinase	0.0045	0.0138	0.0141
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0067	0.0551	0.0566
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0047	0.0182	0.0187
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0047	0.0182	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.4941	0.5074
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0047	0.0182	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.7609	0.7813
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0081	0.0819	0.0841
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.008	0.0797	0.0818
Plasmodium falciparum	protein kinase 5	0.0045	0.0138	0.7561
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0047	0.0182	0.0187
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0548	0.9739	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0047	0.0182	0.0187
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0186	0.282	0.2895
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0548	0.9739	0.9739
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0047	0.0182	0.0187
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0047	0.0182	0.0182
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0328	0.5549	0.5698
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0106	0.1297	0.1332
Echinococcus multilocularis	Zinc finger, PHD finger	0.0047	0.0182	0.0187
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0047	0.0182	0.0187
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0106	0.1297	0.1332
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0437	0.7618	0.7822
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0092	0.1029	0.1057
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0067	0.0551	0.0566
Entamoeba histolytica	cell division protein kinase 2, putative	0.0045	0.0138	0.0141
Brugia malayi	cell division control protein 2 homolog	0.0045	0.0138	0.0138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.5488	0.5634
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.495	0.5082
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.008	0.0797	0.0818
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0106	0.1297	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.1297	0.1332
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.01	0.1188	0.122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0297	0.495	0.5082
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0047	0.0182	0.0187
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0548	0.9739	1
Schistosoma mansoni	hypothetical protein	0.008	0.0797	0.0818
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0408	0.7072	0.7261
Trypanosoma brucei	cdc2-related kinase 1	0.0045	0.0138	0.0141
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.011	0.1385	0.1422
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0045	0.0138	0.0141
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0096	0.1117	0.1117
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0067	0.0551	0.0566
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0106	0.1297	0.1332
Trypanosoma brucei	cdc2-related kinase 3	0.0045	0.0138	0.0141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.7609	0.7813
Trypanosoma cruzi	cdc2-related kinase 1	0.0045	0.0138	0.0141
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0213	0.3347	0.3436
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0572	0.0587
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0047	0.0182	0.0187
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0106	0.1297	0.1332
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0213	0.3347	0.3436
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0186	0.282	0.2895
Loa Loa (eye worm)	phosphatidylinositol 3	0.0548	0.9739	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.013	0.1754	0.1801
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0436	0.7609	0.7813
Echinococcus multilocularis	cyclin dependent kinase 1	0.0045	0.0138	0.0141
Loa Loa (eye worm)	phosphatidylinositol 3	0.0194	0.2977	0.3057
Trichomonas vaginalis	CMGC family protein kinase	0.0045	0.0138	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1396	0.1434
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0213	0.3347	0.3436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.282	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0328	0.5549	0.5698
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.282	0.2895
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.1522	0.1563
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0067	0.0551	0.0566
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0067	0.0551	0.0566
Giardia lamblia	GTOR	0.0548	0.9739	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0797	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0128	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0572	0.0587
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0548	0.9739	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.282	0.2895

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	<= 50 %	Binding affinity to dopamine receptor D1 at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to dopamine receptor D2 at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to dopamine receptor D3 at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to dopamine receptor D4 at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to dopamine receptor D5 at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to adrenergic alpha 1 receptor at 10 uM	ChEMBL.	22325948
Activity (binding)	<= 50 %	Binding affinity to adrenergic alpha 2 receptor at 10 uM	ChEMBL.	22325948
IC50 (binding)	= 1.9 uM	Inhibition of human ERG by patch-clamp assay	ChEMBL.	22325948
IC50 (ADMET)	> 40 uM	Inhibition of CYP1A2 in human liver microsomes	ChEMBL.	22325948
IC50 (ADMET)	> 40 uM	Inhibition of CYP2C9 in human liver microsomes	ChEMBL.	22325948
IC50 (ADMET)	> 40 uM	Inhibition of CYP219 in human liver microsomes	ChEMBL.	22325948
IC50 (ADMET)	> 40 uM	Inhibition of CYP2D6 in human liver microsomes	ChEMBL.	22325948
IC50 (ADMET)	> 40 uM	Inhibition of CYP3A4 in human liver microsomes	ChEMBL.	22325948
Ki (binding)	= 1.6 nM	Displacement of [125I]-DOI from recombinant human 5HT2A receptor	ChEMBL.	22325948
Ki (binding)	= 524 nM	Displacement of [125I]-DOI from recombinant human 5HT2C receptor	ChEMBL.	22325948
PPB (ADMET)	= 67.4 %	Plasma protein binding in human	ChEMBL.	22325948

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: CHEMBL1957816

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1617540