TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.523 | Formula: C24H31F3N4O3
H donors: 1 H acceptors: 3 LogP: 3.3 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: Cn1cnc(c1)C(=O)N([C@@H]1C[C@H]2[C@@H](C1)CN(C2)CC(O)(C)C)Cc1cccc(c1)OC(F)(F)F
InChi: 1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19-
InChiKey: ARKYOPPYXOUDRK-REPLKXPHSA-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	solute carrier family 6 (neurotransmitter transporter), member 5	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter, glycine), member 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus multilocularis	potassium voltage gated channel subfamily H	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
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Sodium-dependent proline transporter, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	voltage and ligand gated potassium channel	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
Trichomonas vaginalis	voltage and ligand gated potassium channel, 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
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Echinococcus multilocularis	serotonin transporter	solute carrier family 6 (neurotransmitter transporter, glycine), member 9	633 aa	616 aa	38.6 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	ornithine aminotransferase	0.0021	0.0323	0.3726
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0021	0.0327	0.0306
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0029	0.0566	0.3052
Echinococcus granulosus	serotonin transporter	0.0037	0.0829	0.0809
Leishmania major	cytochrome p450-like protein	0.0029	0.0566	0.3052
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0029	0.0566	0.5099
Echinococcus granulosus	bloom syndrome protein	0.0021	0.0327	0.0306
Brugia malayi	beta-lactamase family protein	0.0036	0.078	0.1075
Brugia malayi	hypothetical protein	0.0037	0.0829	0.1143
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.078	0.1102
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Plasmodium vivax	hypothetical protein, conserved	0.0012	0.0022	0.0264
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.3951	0.3937
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0327	0.3781
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.111	0.1568
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0029	0.0566	0.0609
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1173	0.2071
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.078	0.106
Entamoeba histolytica	hypothetical protein	0.0037	0.0813	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0607	0.0587
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0607	0.0587
Onchocerca volvulus		0.0037	0.0829	0.1128
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0899	0.1226
Trichomonas vaginalis	chromobox protein, putative	0.007	0.1871	0.2584
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0572	0.0552
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0029	0.0566	0.0375
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0012	0.0022	0.000000003408
Leishmania major	hypothetical protein, conserved	0.0026	0.0469	0.1809
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0029	0.0566	0.0609
Brugia malayi	Cytochrome P450 family protein	0.0104	0.2936	0.4129
Loa Loa (eye worm)	hypothetical protein	0.0191	0.5666	0.8003
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0066	0.0044
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0469	0.1809
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0021	0.0323	0.0569
Plasmodium vivax	amine transporter, putative	0.0037	0.0829	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1173	0.1658
Loa Loa (eye worm)	RecQ helicase	0.0021	0.0327	0.0462
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0046	0.111	0.197
Loa Loa (eye worm)	CHromoDomain protein family member	0.0012	0.0022	0.0031
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0012	0.0022	0.0039
Toxoplasma gondii	hypothetical protein	0.0037	0.0829	1
Loa Loa (eye worm)	serotonin transporter b	0.0037	0.0829	0.1171
Entamoeba histolytica	hypothetical protein	0.0037	0.0813	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.078	0.7029
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Echinococcus multilocularis	Chromo domain	0.0012	0.0022	0.00000000027562
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	0.1171
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0021	0.0327	0.3781
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0029	0.0566	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.3951	0.3937
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.0327	0.0427
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.1061	0.1041
Schistosoma mansoni	sodium/chloride dependent transporter	0.0191	0.5666	1
Brugia malayi	hypothetical protein	0.0037	0.0813	0.112
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	1
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0012	0.0022	0.00000000027562
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0607	0.7326
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Trypanosoma brucei	cytochrome P450, putative	0.0046	0.111	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0813	0.0792
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.1061	0.1041
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0029	0.0566	0.0375
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.078	0.106
Mycobacterium leprae	Conserved hypothetical protein	0.0029	0.0566	0.0609
Entamoeba histolytica	hypothetical protein	0.0012	0.0022	0.0269
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0029	0.0566	0.0375
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.00000000038441
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0012	0.0022	0.00000000027562
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.078	0.076
Echinococcus granulosus	chromobox protein 1	0.007	0.1871	0.1853
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0066	0.0044
Toxoplasma gondii	hypothetical protein	0.0037	0.0829	1
Plasmodium falciparum	amino acid transporter, putative	0.0037	0.0829	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0021	0.0327	0.0306
Brugia malayi	beta-lactamase family protein	0.0036	0.078	0.1075
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.078	0.0705
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0021	0.0327	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0632	0.0892
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0029	0.0566	0.0609
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0469	0.5537
Brugia malayi	Heterochromatin protein 1	0.007	0.1871	0.262
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0876	0.1237
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0029	0.0566	0.0375
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.078	0.1377
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.078	0.076
Treponema pallidum	sodium- and chloride- dependent transporter	0.0037	0.0829	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0037	0.0829	0.1463
Schistosoma mansoni	chromobox protein	0.0012	0.0022	0.0039
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0029	0.0566	0.6829
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0323	0.0301
Mycobacterium ulcerans	beta-lactamase	0.0036	0.078	0.1145
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0037	0.0829	0.1143
Onchocerca volvulus		0.0036	0.078	0.106
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0066	0.0044
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.078	0.106
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	0.1143
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.078	0.0705
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0037	0.0829	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0021	0.0327	0.0462
Schistosoma mansoni	DNA helicase recq1	0.0021	0.0327	0.0577
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0191	0.5666	0.8003
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0029	0.0566	0.0609
Brugia malayi	hypothetical protein	0.0017	0.0182	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0029	0.0566	0.0375
Echinococcus multilocularis		0.0029	0.0566	0.0545
Schistosoma mansoni	DNA helicase recq5	0.0021	0.0327	0.0577
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0029	0.0566	0.0375
Onchocerca volvulus		0.0048	0.1173	0.161
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0327	0.0432
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0012	0.0022	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0037	0.0829	0.0809
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0029	0.0566	0.0609
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0993	0.1358
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0066	0.0044
Echinococcus multilocularis	tumor protein p63	0.0329	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0829	0.1463
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.0327	0.0306
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0327	0.3945
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.078	0.1075
Loa Loa (eye worm)	cytochrome P450 family protein	0.0104	0.2936	0.4147
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0029	0.0566	0.0609
Echinococcus granulosus	ornithine aminotransferase	0.0021	0.0323	0.0301
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0469	0.5537
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Plasmodium vivax	SET domain protein, putative	0.003	0.0607	0.7326
Mycobacterium ulcerans	hypothetical protein	0.0036	0.078	0.1145
Trichomonas vaginalis	esterase, putative	0.0036	0.078	0.106
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0021	0.0327	0.0306
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0829	0.0809
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.0269
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.078	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0969	0.171
Loa Loa (eye worm)	cytochrome P450	0.0029	0.0566	0.08
Trichomonas vaginalis	chromobox protein, putative	0.007	0.1871	0.2584
Echinococcus multilocularis	chromobox protein 1	0.007	0.1871	0.1853
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0813	0.0792
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.078	0.9415
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0236	0.708	1
Loa Loa (eye worm)	helicase	0.0012	0.0022	0.0031
Entamoeba histolytica	hypothetical protein	0.0012	0.0022	0.0269
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0537	0.0721
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0037	0.0829	0.0809
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0029	0.0566	0.5099
Trypanosoma cruzi	cytochrome P450, putative	0.0046	0.111	1
Entamoeba histolytica	hypothetical protein	0.0012	0.0022	0.0269
Loa Loa (eye worm)	beta-lactamase	0.0036	0.078	0.1102
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.7176	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.078	0.7029
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0993	0.1358
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0029	0.0566	0.0375
Echinococcus multilocularis	serotonin transporter	0.0037	0.0829	0.0809
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0537	0.0721
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.1871	0.2642
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0469	0.5655
Schistosoma mansoni	chromobox protein	0.007	0.1871	0.3302
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0469	0.0662
Leishmania major	hypothetical protein, conserved	0.0036	0.078	0.5789
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.00000000038441
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0029	0.0566	0.0375
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.078	0.0705
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0023	0.0001
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0607	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0288
Giardia lamblia	Sgs1 DNA helicase, putative	0.0021	0.0327	0.5
Mycobacterium tuberculosis	Conserved protein	0.0036	0.078	0.0705
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.078	0.106
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0829	0.1463
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0021	0.0323	0.3892
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.078	0.1145
Loa Loa (eye worm)	norepinephrine transporter	0.0037	0.0829	0.1171
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0829	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0191	0.5666	0.5656
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0037	0.0829	0.0809
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0029	0.0566	0.0609
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0029	0.0566	0.0375
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0023	0.0001
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.078	0.0705
Onchocerca volvulus		0.0031	0.0632	0.0852
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.00000000038441
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0012	0.0022	0.0264
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0066	0.0116
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0021	0.0323	0.0426
Mycobacterium leprae	Probable lipase LipE	0.0036	0.078	0.1145
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0029	0.0566	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0029	0.0566	0.0375
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0012	0.0022	0.00000000027562
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0029	0.0566	0.3052
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.1061	0.1472
Plasmodium vivax	heterochromatin protein 1, putative	0.0012	0.0022	0.0264
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0029	0.0566	0.0375
Plasmodium vivax	hypothetical protein, conserved	0.0012	0.0022	0.0264
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.078	0.106
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0029	0.0566	0.0609
Onchocerca volvulus		0.0037	0.0829	0.1128
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0029	0.0566	0.0609
Brugia malayi	SET domain containing protein	0.0013	0.0057	0.0049
Mycobacterium ulcerans	hypothetical protein	0.0148	0.432	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0469	0.4222
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.3951	0.6972
Entamoeba histolytica	recQ family helicase, putative	0.0021	0.0327	0.4024
Brugia malayi	Associated with TFs and helicases family protein	0.0012	0.0022	0.00000000038966
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0968	0.1323
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0037	0.0829	0.0809
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0148	0.432	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0029	0.0566	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0191	0.5666	0.8003
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0029	0.0566	0.0609
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0021	0.0323	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0046	0.111	0.1568
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0607	0.1072
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.078	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0029	0.0566	0.0375
Brugia malayi	CHD4 protein	0.0012	0.0022	0.00000000038966
Schistosoma mansoni	chromobox protein	0.007	0.1871	0.3302
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.078	0.1377
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0029	0.0566	0.0609
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0012	0.0022	0.0039
Onchocerca volvulus		0.0042	0.0969	0.1324
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0029	0.0566	0.5099
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.078	0.1145
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0029	0.0566	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0327	0.0432
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Mycobacterium tuberculosis	Probable aminotransferase	0.0148	0.432	0.6155
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0029	0.0566	0.0375
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0029	0.0566	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0029	0.0566	0.0375
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0012	0.0022	0.00000000038966
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	0.1143
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	0.1143
Echinococcus granulosus	Chromo domain	0.0012	0.0022	0.00000000027562
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0148	0.432	0.6008
Echinococcus multilocularis	ornithine aminotransferase	0.0021	0.0323	0.0301
Onchocerca volvulus		0.0037	0.0829	0.1128
Toxoplasma gondii	ABC1 family protein	0.0036	0.078	0.9415
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0993	0.1358
Echinococcus granulosus	chromobox protein 1	0.007	0.1871	0.1853
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0327	0.0427
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0813	0.1434
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0899	0.127
Schistosoma mansoni	sodium/chloride dependent transporter	0.0191	0.5666	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0029	0.0566	0.0609
Echinococcus granulosus	Aminotransferase class III	0.0021	0.0323	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0011	0.00000000027502	0.00000000038846
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.6818	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0029	0.0566	0.0375
Leishmania major	cytochrome p450-like protein	0.0046	0.111	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0191	0.5666	0.5656
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.0327	0.0432
Mycobacterium tuberculosis	Conserved protein	0.0036	0.078	0.0705
Brugia malayi	cytochrome P450	0.0029	0.0566	0.0771
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0037	0.0829	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0036	0.078	0.1102
Echinococcus multilocularis	Aminotransferase class III	0.0021	0.0323	0.0301
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.3951	0.3937
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0037	0.0829	0.0809
Brugia malayi	Cytochrome P450 family protein	0.0046	0.111	0.1542
Trypanosoma cruzi	cytochrome P450, putative	0.0046	0.111	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0022	0.0039
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0012	0.0022	0.00000000027562
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0148	0.432	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.078	0.0705
Entamoeba histolytica	hypothetical protein	0.0037	0.0813	1
Schistosoma mansoni	cytochrome P450	0.0029	0.0566	0.0999
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0191	0.5666	0.5656
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.3951	0.3937
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0566	0.0771
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0066	0.0116
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.6264	0.8847
Brugia malayi	Pre-SET motif family protein	0.003	0.0607	0.0829
Onchocerca volvulus		0.0037	0.0829	0.1128
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0029	0.0566	0.0375
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0029	0.0566	0.0609
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0469	0.5655
Echinococcus granulosus	Chromobox protein 3	0.0012	0.0022	0.000000039762
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0899	0.1226
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0607	0.1072
Plasmodium falciparum	transporter, putative	0.0037	0.0829	1
Brugia malayi	Cytochrome P450 family protein	0.0046	0.111	0.1542
Schistosoma mansoni	hypothetical protein	0.0012	0.0023	0.004
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1189	0.2099
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.078	0.0705
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0029	0.0566	0.0375
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.1061	0.1498
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.3951	0.5566
Brugia malayi	hypothetical protein	0.0026	0.0469	0.0633
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0029	0.0566	0.0609
Onchocerca volvulus		0.0012	0.0022	0.000000055456
Entamoeba histolytica	hypothetical protein	0.0037	0.0813	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0327	0.0427
Loa Loa (eye worm)	hypothetical protein	0.003	0.0607	0.0858
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.3951	0.6972
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.1189	0.2099
Leishmania major	cytochrome p450-like protein	0.0029	0.0566	0.3052
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0037	0.0829	0.1463
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0469	0.4222
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.0269
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0066	0.0062
Onchocerca volvulus		0.0036	0.078	0.106
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.078	0.5789
Plasmodium vivax	ornithine aminotransferase, putative	0.0021	0.0323	0.3892
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Onchocerca volvulus		0.0239	0.7176	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0899	0.1226
Brugia malayi	chromobox protein homolog 3	0.0039	0.0899	0.1243
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0968	0.1323
Brugia malayi	Pre-SET motif family protein	0.021	0.6264	0.8844
Mycobacterium leprae	putative cytochrome p450	0.0029	0.0566	0.0609
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0012	0.0022	0.0264
Onchocerca volvulus		0.0036	0.078	0.106
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.0269
Echinococcus multilocularis	Chromobox protein 3	0.0012	0.0022	0.000000039762
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0037	0.0829	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0607	0.1072
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0191	0.5666	0.7997
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0829	0.1171
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0037	0.0829	0.1463
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0029	0.0566	0.0609
Mycobacterium ulcerans	lipase LipD	0.0036	0.078	0.1145
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0037	0.0829	0.1171
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0012	0.0022	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0327	0.0462
Schistosoma mansoni	chromobox protein	0.0012	0.0022	0.0039
Echinococcus multilocularis	chromobox protein 1	0.007	0.1871	0.1853
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0021	0.0327	0.3945
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0012	0.0022	0.0039
Echinococcus granulosus	cytochrome P450 2K1	0.0029	0.0566	0.0545
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0012	0.0022	0.00000000038441
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0031
Schistosoma mansoni	hypothetical protein	0.0037	0.0813	0.1434
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.078	0.0705
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0029	0.0566	0.0609
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0148	0.432	0.6155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.3951	0.6972
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0066	0.0093
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0037	0.0829	0.1463
Loa Loa (eye worm)	CYP4Cod1	0.0046	0.111	0.1568
Echinococcus granulosus	sodium and chloride dependent glycine	0.0191	0.5666	0.5656
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.00000000038441
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0029	0.0566	0.0375
Schistosoma mansoni	hypothetical protein	0.0029	0.0566	0.0999
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0021	0.0327	0.2946
Brugia malayi	beta-lactamase	0.0036	0.078	0.1075
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0029	0.0566	0.0609
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0012	0.0022	0.00000000038441
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.3951	0.558
Brugia malayi	follicle stimulating hormone receptor	0.0236	0.708	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human ERG by patch clamp study	ChEMBL.	20045321
IC50 (ADMET)	= 1100 nM	Inhibition of CYP2D6	ChEMBL.	20045321
IC50 (binding)	= 8870 nM	Inhibition of human glycine transporter 2-mediated glycine uptake expressed in HEK293 cells	ChEMBL.	20045321
IC50 (ADMET)	> 10000 nM	Inhibition of CYP3A4	ChEMBL.	20045321
Ki (binding)	= 5.74 nM	Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells	ChEMBL.	20045321
Ki (binding)	= 3810 nM	Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells	ChEMBL.	20045321

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: CHEMBL605744

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1100230