TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 486.437 | Formula: C25H29Cl2N5O
H donors: 1 H acceptors: 2 LogP: 4.18 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(n(c1C)C)c1ccncc1)NCCCN1CCN(CC1)c1cccc(c1Cl)Cl
InChi: 1S/C25H29Cl2N5O/c1-18-20(17-23(30(18)2)19-7-10-28-11-8-19)25(33)29-9-4-12-31-13-15-32(16-14-31)22-6-3-5-21(26)24(22)27/h3,5-8,10-11,17H,4,9,12-16H2,1-2H3,(H,29,33)
InChiKey: XOMXTKDEJJEEOU-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	5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Serotonin receptor	Get druggable targets OG5_135430	All targets in OG5_135430
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0817	0.152
Echinococcus granulosus	ornithine aminotransferase	0.0045	0.0668	0.094
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0183	0.3164	0.3164
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0156	0.022
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0147	0.0231
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2703	0.3805
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0269	0.0501
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.4138	0.7358
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0125	0.1868
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0273	0.4466
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0045	0.0668	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0977	0.1375
Schistosoma mansoni	cytochrome P450	0.0009	0.0019	0.0027
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0012	0.0078	0.011
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0269	0.045
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0	0.0001
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0589	0.0846
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0159	0.0159
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.3619	0.6736
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0012	0.0078	0.011
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0269	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0236	0.3815
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0589	0.0846
Echinococcus multilocularis	ornithine aminotransferase	0.0045	0.0668	0.094
Leishmania major	hypothetical protein, conserved	0.0015	0.0125	0.1868
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0306
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0321	0.0355
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0269	0.4393
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0031	0.0059
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0045	0.0668	0.0668
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0273	0.4466
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0601	0.0847
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0045	0.0668	0.1167
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0045	0.0668	0.1181
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0155	0.0155
Brugia malayi	Bromodomain containing protein	0.0038	0.0533	0.0533
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0045	0.0668	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0269	0.0501
Plasmodium falciparum	importin beta, putative	0.0029	0.0371	0.4969
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0009	0.0019	0.0015
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0321	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0009	0.0019	0.0015
Echinococcus granulosus	snurportin 1	0.0305	0.5373	0.7563
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0589	0.1095
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0269	0.2986
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0236	0.0236
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0156	0.022
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0045	0.0668	0.1167
Schistosoma mansoni	alpha glucosidase	0.0041	0.0589	0.0829
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0047	0.0706	0.0994
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	0.5373	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0977	0.1818
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0281	0.4927	0.8829
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0223
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0009	0.0019	0.0015
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0269	0.0465
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0317	0.5578	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0012	0.0078	0.011
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.0589	1
Brugia malayi	hypothetical protein	0.0041	0.0601	0.0601
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0009	0.0019	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1174	0.2184
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0941	0.1325
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0223
Echinococcus granulosus	lysosomal alpha glucosidase	0.0183	0.3164	0.4454
Schistosoma mansoni	cpg binding protein	0.0028	0.0363	0.0511
Entamoeba histolytica	hypothetical protein	0.0041	0.0601	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0223
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0679	0.0956
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0183	0.3164	0.5889
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0273	0.0267
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0236	0.044
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0009	0.0019	0.0015
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0012	0.0078	0.011
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0269	0.0465
Entamoeba histolytica	hypothetical protein	0.0023	0.0273	0.3075
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0012	0.0078	0.011
Onchocerca volvulus		0.0023	0.0269	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Treponema pallidum	sodium- and chloride- dependent transporter	0.0073	0.1174	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0977	0.1818
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0321	0.4082
Onchocerca volvulus		0.0028	0.0363	0.0702
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0404	0.4467
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0373	0.0525
Schistosoma mansoni	sodium/chloride dependent transporter	0.0012	0.0078	0.011
Brugia malayi	Importin beta-1 subunit	0.0029	0.0371	0.0371
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0269	0.0465
Brugia malayi	F/Y-rich N-terminus family protein	0.0012	0.0063	0.0063
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0031	0.0044
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0269	0.0465
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0941	0.1325
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0589	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.0078	0.011
Schistosoma mansoni	hypothetical protein	0.0175	0.3017	0.4246
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0159	0.0159
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0159	0.0223
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0688
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0236	0.0199
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0009	0.0019	0.0015
Brugia malayi	cytochrome P450	0.0009	0.0019	0.0019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0679	0.0679
Loa Loa (eye worm)	cytochrome P450 family protein	0.0017	0.0155	0.0288
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0321	0.5304
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2703	0.3805
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0073	0.1174	0.1174
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0315	0.0586
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0589	0.0829
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0269	0.2986
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0269	0.2986
Loa Loa (eye worm)	cytochrome P450 family protein	0.0017	0.0155	0.0288
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0317	0.5578	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Echinococcus multilocularis	sodium channel protein	0.0032	0.0436	0.0614
Echinococcus granulosus	serotonin transporter	0.0073	0.1174	0.1652
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0269	0.0269
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0977	0.1375
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0009	0.0019	0.0015
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0817	0.0817
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0315	0.0315
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0589	1
Schistosoma mansoni	bromodomain containing protein	0.0064	0.1005	0.1414
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0371	0.0522
Echinococcus multilocularis	Aminotransferase class III	0.0045	0.0668	0.094
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0273	0.0267
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.3164	0.4454
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0	0.0001
Mycobacterium ulcerans	hypothetical protein	0.0317	0.5578	1
Schistosoma mansoni	hypothetical protein	0.0175	0.3017	0.4246
Schistosoma mansoni	hypothetical protein	0.0015	0.0125	0.0176
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0236	0.2681
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0164	0.1461
Echinococcus granulosus	geminin	0.0175	0.3017	0.4246
Echinococcus granulosus	Aminotransferase class III	0.0045	0.0668	0.094
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0164	0.1461
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0273	0.0267
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0679	0.0956
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0321	0.0452
Schistosoma mansoni	cpg binding protein	0.0032	0.0426	0.06
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0009	0.0019	0.0015
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.0078	0.011
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0977	0.0977
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0688
Brugia malayi	TAR-binding protein	0.0062	0.0977	0.0977
Echinococcus granulosus	zinc finger protein	0.0021	0.023	0.0324
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0183	0.3164	0.4454
Brugia malayi	RNA binding protein	0.0062	0.0977	0.0977
Echinococcus multilocularis	snurportin 1	0.0305	0.5373	0.7563
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0679	0.0956
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1995	0.3712
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0012	0.0078	0.011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0679	0.0956
Plasmodium vivax	SET domain protein, putative	0.003	0.0404	0.5521
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0269	0.0269
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0491	0.0691
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.0078	0.011
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1995	0.3712
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0317	0.5578	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0009	0.0019	0.0015
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0236	0.0391
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0276	0.0389
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0164	0.0262
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0147	0.0231
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0078
Schistosoma mansoni	sodium/chloride dependent transporter	0.0073	0.1174	0.1652
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0145
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0236	0.0199
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0078
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0012	0.0078	0.011
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0012	0.0078	0.011
Trypanosoma brucei	ISWI complex protein	0.0015	0.0125	0.1868
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0012	0.0078	0.011
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0589	0.0846
Schistosoma mansoni	hypothetical protein	0.0009	0.0019	0.0027
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0954	0.1342
Schistosoma mansoni	hypothetical protein	0.002	0.022	0.031
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0317	0.5578	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0236	0.3815
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0404	0.0568
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0045	0.0668	0.1181
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0321	0.0452
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0281	0.4927	0.8831
Toxoplasma gondii	hypothetical protein	0.0012	0.0078	0.0688
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0589	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0639	0.1189
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0045	0.0668	0.1167
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0371	0.0522
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0512	0.0512
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0159	0.0223
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0045	0.0668	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0306
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0009	0.0019	0.0015
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0012	0.0078	0.011
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0706	0.1314
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0706	0.0994
Plasmodium falciparum	ornithine aminotransferase	0.0045	0.0668	1
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0012	0.0078	0.0078
Plasmodium vivax	ornithine aminotransferase, putative	0.0045	0.0668	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.0078	0.011
Echinococcus multilocularis	dnaJ subfamily B	0.0401	0.7105	1
Echinococcus multilocularis	ornithine aminotransferase	0.0045	0.0668	0.094
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0078
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0589	0.973
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0045	0.0668	0.1167
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0045	0.0668	0.1181
Loa Loa (eye worm)	hypothetical protein	0.004	0.0576	0.1072
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0283	0.0398
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0371	0.6183
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0679	0.1264
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0147	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0078	0.0145
Trypanosoma cruzi	cytochrome P450, putative	0.0017	0.0155	0.2386
Onchocerca volvulus		0.0106	0.1769	0.4164
Toxoplasma gondii	exonuclease III APE	0.0021	0.0236	0.2523
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0012	0.0078	0.011
Onchocerca volvulus		0.0237	0.4138	1
Loa Loa (eye worm)	norepinephrine transporter	0.0073	0.1174	0.2184
Echinococcus granulosus	histone lysine methyltransferase setb	0.0047	0.0706	0.0994
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0236	0.0333
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0269	0.0465
Echinococcus multilocularis	serotonin transporter	0.0073	0.1174	0.1652
Leishmania major	glycosyl hydrolase-like protein	0.0015	0.0128	0.191
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0977	0.1375
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0012	0.0078	0.011
Brugia malayi	hypothetical protein	0.0012	0.0078	0.0078
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0159	0.0223
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.0589	0.0846
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0159	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0159	0.0295
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0977	0.1375
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0236	0.3815
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0679	0.0956
Echinococcus granulosus	sodium channel protein	0.0032	0.0436	0.0614
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0145
Brugia malayi	MH2 domain containing protein	0.0118	0.1995	0.1995
Schistosoma mansoni	hypothetical protein	0.0041	0.0601	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1108	0.2062
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0045	0.0668	0.1181
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0589	0.973
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0321	0.0598
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0283	0.0398
Trypanosoma brucei	cytochrome P450, putative	0.0017	0.0155	0.2386
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0147	0.0231
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0236	0.2681
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0534	0.0994
Entamoeba histolytica	hypothetical protein	0.0041	0.0601	1
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0045	0.0668	0.094
Echinococcus multilocularis	zinc finger protein	0.0021	0.023	0.0324
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0015	0.0128	0.191
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0236	0.0406
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0321	0.412
Mycobacterium ulcerans	L-lysine aminotransferase	0.0045	0.0668	0.1181
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0321	0.3508
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0269	0.0501
Loa Loa (eye worm)	cytochrome P450	0.0009	0.0019	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0512	0.0953
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.0589	0.6614
Toxoplasma gondii	hypothetical protein	0.0012	0.0078	0.0688
Echinococcus granulosus	cytochrome P450 2K1	0.0009	0.0019	0.0027
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.022	0.0409
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0159	0.0223
Echinococcus granulosus	GPCR family 2	0.0017	0.0159	0.0223
Schistosoma mansoni	importin beta-1	0.0029	0.0371	0.0522
Schistosoma mansoni	cpg binding protein	0.0032	0.0426	0.06
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0047	0.0706	0.0994
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0321	0.412
Schistosoma mansoni	ap endonuclease	0.0021	0.0236	0.0333
Trypanosoma cruzi	cytochrome P450, putative	0.0017	0.0155	0.2386
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0073	0.1174	0.2184
Brugia malayi	Cytochrome P450 family protein	0.0009	0.0019	0.0019
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0269	0.045
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0009	0.0019	0.0015
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0589	0.0846
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0012	0.0078	0.011
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0306
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0371	0.4969
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1174	0.2184
Brugia malayi	Pre-SET motif family protein	0.003	0.0404	0.0404
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0015	0.0128	0.0122
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0589	0.0846
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0601	0.0847
Brugia malayi	Pre-SET motif family protein	0.0208	0.3619	0.3619
Trypanosoma brucei	glucosidase, putative	0.0041	0.0589	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0977	0.1375
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0009	0.0019	0.0015
Schistosoma mansoni	sodium/chloride dependent transporter	0.0012	0.0078	0.011
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0321	0.5304
Echinococcus multilocularis	geminin	0.0175	0.3017	0.4246
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0167	0.0311
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0977	0.1375
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0269	0.045
Schistosoma mansoni	zinc finger protein	0.0021	0.023	0.0324
Echinococcus multilocularis	cpg binding protein	0.0032	0.0426	0.06
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0009	0.0019	0.0015
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0009	0.0019	0.0015
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0977	0.1375
Entamoeba histolytica	hypothetical protein	0.0041	0.0601	1
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0009	0.0019	0.0015
Schistosoma mansoni	zinc finger protein	0.0015	0.0125	0.0176
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0155	0.0155
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0009	0.0019	0.0015
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0679	0.0956
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0012	0.0078	0.0688
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0045	0.0668	0.7533
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0032	0.0436	0.0614
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0236	0.2291
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0269	0.4393
Onchocerca volvulus		0.0073	0.1174	0.2698
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0164	0.1461
Brugia malayi	PHD-finger family protein	0.0026	0.0325	0.0325
Leishmania major	cytochrome p450-like protein	0.0017	0.0155	0.2386
Brugia malayi	RNA, U transporter 1	0.0081	0.1324	0.1324
Schistosoma mansoni	ap endonuclease	0.0021	0.0236	0.0333
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0817	0.0817
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0125	0.1868
Echinococcus granulosus	dnaJ subfamily B	0.0401	0.7105	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0679	0.0956
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0156	0.022
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0236	0.3815
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0015	0.0128	0.0128
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0236	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0306
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0404	0.0568
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0269	0.0465
Echinococcus granulosus	cpg binding protein	0.0032	0.0426	0.06
Entamoeba histolytica	hypothetical protein	0.0041	0.0601	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0589	0.0846
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0601	0.0847
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0032	0.0436	0.7326
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0012	0.0078	0.011
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0015	0.0128	0.191
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0589	0.0829
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0156	0.022
Schistosoma mansoni	hypothetical protein	0.0017	0.0159	0.0223
Schistosoma mansoni	hypothetical protein	0.0305	0.5373	0.7563
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0321	0.5304
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0031	0.0044
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0283	0.0398
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0269	0.0269
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0371	0.4089
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0371	0.0691
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0128	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0164	0.0306
Loa Loa (eye worm)	CYP4Cod1	0.0017	0.0155	0.0288
Brugia malayi	Bromodomain containing protein	0.0075	0.1213	0.1213
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0159	0.0295
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0045	0.0668	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1174	0.2184
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0164	0.0276
Echinococcus granulosus	sodium and chloride dependent glycine	0.0012	0.0078	0.011
Onchocerca volvulus		0.003	0.0404	0.0802
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0045	0.0668	0.1167
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0269	0.0465
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0977	0.1818
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0009	0.0019	0.0015
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0404	0.0568
Schistosoma mansoni	hypothetical protein	0.0401	0.7105	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0317	0.5578	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0009	0.0019	0.0015
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0017	0.0155	0.026
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0009	0.0019	0.0015
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0012	0.0078	0.011
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0269	0.045
Schistosoma mansoni	hypothetical protein	0.0036	0.0512	0.0721
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.088	1
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0045	0.0668	0.1167
Echinococcus multilocularis		0.0009	0.0019	0.0027
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0363	0.0363
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0009	0.0019	0.0015
Brugia malayi	Flap endonuclease-1	0.0026	0.0321	0.0321
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0015	0.0128	0.191
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0491	0.0691
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0371	0.6183
Loa Loa (eye worm)	serotonin transporter b	0.0073	0.1174	0.2184
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0073	0.1174	0.1652
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.0589	0.0846
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0363	0.0676
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0269	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0817	0.152
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0	0.0001

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 39 nM	Displacement of [3H]ketanserin from human recombinant 5HT2A expressed in CHOK1 cells	ChEMBL.	20637635
IC50 (binding)	= 85 nM	Displacement of [3H]imipramine from human SERT expressed in HEK293 cells	ChEMBL.	20637635
IC50 (binding)	= 175 nM	Displacement of [3H]mesulergine from human recombinant 5HT2C expressed in CHOK1 cells	ChEMBL.	20637635

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: CHEMBL1214547

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1130071