TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.449 | Formula: C20H28N2O2
H donors: 0 H acceptors: 1 LogP: 3.05 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CN1C[C@H]2CCC(=O)[C@@H]1CN2CC=C(C)C
InChi: 1S/C20H28N2O2/c1-15(2)10-11-21-14-19-20(23)9-6-17(21)13-22(19)12-16-4-7-18(24-3)8-5-16/h4-5,7-8,10,17,19H,6,9,11-14H2,1-3H3/t17-,19+/m1/s1
InChiKey: VLDNLNSJMNNQDZ-MJGOQNOKSA-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
Cavia porcellus	Sigma-1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Carboxylesterase family protein	0.0057	0.0363	0.035
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0057	0.0363	0.0418
Brugia malayi	MAP kinase sur-1	0.005	0.0277	0.0263
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0277	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Loa Loa (eye worm)	hypothetical protein	0.0413	0.4931	0.4924
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1023	0.3823
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1023	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0057	0.0363	0.0418
Leishmania major	C-8 sterol isomerase-like protein	0.0808	1	1
Brugia malayi	Carboxylesterase family protein	0.0337	0.3958	0.3949
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0467	0.0543
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0108	0.1023	1
Schistosoma mansoni	lipoxygenase	0.0222	0.2483	0.2959
Onchocerca volvulus		0.0057	0.0363	0.1286
Brugia malayi	phosphofructokinase	0.0108	0.1023	0.101
Brugia malayi	Carboxylesterase family protein	0.0057	0.0363	0.035
Echinococcus multilocularis	geminin	0.0164	0.1741	0.2069
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0014	0.0155
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1023	0.3823
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.1023	0.0767
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.0385	0.046
Schistosoma mansoni	hypothetical protein	0.0164	0.1741	0.2069
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0398	0.4743	0.5667
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.0385	0.046
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.0277	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0409	0.2882
Echinococcus multilocularis	jun protein	0.0083	0.0694	0.0815
Mycobacterium ulcerans	carboxylesterase, LipT	0.0057	0.0363	0.2464
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.119	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0277	0.1012
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0108	0.1023	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0363	0.0418
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.119	0.1409
Brugia malayi	bZIP transcription factor family protein	0.0083	0.0694	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2622	0.2612
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0467	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Echinococcus granulosus	Polycystic kidney disease protein	0.0098	0.0887	0.1062
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.1023	0.101
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0887	0.0875
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0409	1
Echinococcus granulosus	single minded 2	0.0036	0.0093	0.0111
Brugia malayi	hypothetical protein	0.0065	0.0466	0.0453
Loa Loa (eye worm)	hypoxia-induced factor 1	0.015	0.1558	0.1546
Echinococcus granulosus	lipoxygenase domain containing protein	0.0098	0.0887	0.1062
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0121	0.119	0.1177
Brugia malayi	6-phosphofructokinase	0.0108	0.1023	0.101
Brugia malayi	6-phosphofructokinase	0.0108	0.1023	0.101
Onchocerca volvulus		0.0057	0.0363	0.1286
Schistosoma mansoni	polycystin 1-related	0.0098	0.0887	0.1047
Brugia malayi	hypothetical protein	0.0057	0.0363	0.035
Echinococcus granulosus	carboxylesterase 5A	0.0337	0.3958	0.4735
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0083	0.0694	0.0815
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0115	0.0121
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.0385	0.0444
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0277	0.1012
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0385	0.0444
Schistosoma mansoni	chromobox protein	0.0069	0.0523	0.061
Brugia malayi	hypothetical protein	0.0121	0.1189	0.1177
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0337	0.3958	0.4726
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0093	0.0079
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.016	0.0175
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0385	0.0371
Schistosoma mansoni	microtubule-associated protein tau	0.068	0.8358	1
Onchocerca volvulus		0.0036	0.0093	0.0261
Echinococcus multilocularis	Polycystic kidney disease protein	0.0098	0.0887	0.1047
Schistosoma mansoni	BC026374 protein (S09 family)	0.0057	0.0363	0.0418
Brugia malayi	Heterochromatin protein 1	0.0069	0.0523	0.051
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0409	0.0473
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0523	0.1942
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.119	0.1423
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0409	0.0555
Plasmodium vivax	multidomain scavenger receptor, putative	0.0098	0.0887	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0132	0.0467
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0115	0.0138
Onchocerca volvulus		0.0048	0.0242	0.0827
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0098	0.0887	0.1047
Brugia malayi	hypothetical protein	0.0163	0.172	0.1708
Echinococcus multilocularis	neuroligin	0.0057	0.0363	0.0418
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0467	0.0196
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0121	0.119	0.0939
Brugia malayi	Carboxylesterase family protein	0.0057	0.0363	0.035
Loa Loa (eye worm)	carboxylesterase	0.0057	0.0363	0.035
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.1023	0.1209
Echinococcus granulosus	lipoxygenase domain containing protein	0.0098	0.0887	0.1062
Onchocerca volvulus		0.0057	0.0363	0.1286
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0409	0.0136
Onchocerca volvulus		0.0098	0.0887	0.3273
Echinococcus granulosus	jun protein	0.0083	0.0694	0.083
Loa Loa (eye worm)	hypothetical protein	0.0337	0.3958	0.3949
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Brugia malayi	Pre-SET motif family protein	0.0207	0.2294	0.2284
Brugia malayi	jmjC domain containing protein	0.0059	0.0385	0.0371
Brugia malayi	Carboxylesterase family protein	0.0337	0.3958	0.3949
Schistosoma mansoni	hypothetical protein	0.0067	0.0495	0.0577
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.0277	0.6699
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0121	0.119	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.172	0.1708
Brugia malayi	Doublecortin family protein	0.0098	0.0887	0.0875
Echinococcus multilocularis	microtubule associated protein 2	0.068	0.8358	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0409	0.0489
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0467	0.0196
Leishmania major	ATP-dependent phosphofructokinase	0.0108	0.1023	0.0767
Brugia malayi	chromobox protein homolog 3	0.0039	0.0132	0.0118
Echinococcus multilocularis	para nitrobenzyl esterase	0.0057	0.0363	0.0418
Onchocerca volvulus		0.0236	0.2662	1
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.2622	0.3137
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1023	0.3823
Loa Loa (eye worm)	hypothetical protein	0.008	0.0665	0.0652
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2662	1
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.0277	0.0331
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0057	0.0363	0.0434
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0409	0.2882
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0106	0.0993	0.098
Echinococcus multilocularis	6 phosphofructokinase	0.0108	0.1023	0.1209
Echinococcus granulosus	acetylcholinesterase	0.0337	0.3958	0.4735
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0057	0.0363	0.1338
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0057	0.0363	0.0418
Echinococcus granulosus	chromobox protein 1	0.0069	0.0523	0.0626
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0887	0.0875
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0523	0.1942
Loa Loa (eye worm)	doublecortin family protein	0.0098	0.0887	0.0875
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.0277	0.0315
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0467	0.4524
Schistosoma mansoni	acetylcholinesterase	0.0057	0.0363	0.0418
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.1023	0.0767
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.119	1
Brugia malayi	hypothetical protein	0.0098	0.0887	0.0875
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1023	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.0523	0.0626
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2294	0.2284
Loa Loa (eye worm)	hypothetical protein	0.0337	0.3958	0.3949
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.0277	0.0315
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1023	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.017	0.0553
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0132	0.0467
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0093	0.0094
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0398	0.4743	0.5674
Schistosoma mansoni	hypothetical protein	0.0048	0.0242	0.0273
Schistosoma mansoni	chromobox protein	0.0069	0.0523	0.061
Onchocerca volvulus		0.0057	0.0363	0.1286
Echinococcus granulosus	microtubule associated protein 2	0.068	0.8358	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0024	0.001
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0121	0.119	0.1409
Onchocerca volvulus		0.0065	0.0466	0.1676
Schistosoma mansoni	jun-related protein	0.0067	0.0495	0.0577
Echinococcus multilocularis	carboxylesterase 5A	0.0337	0.3958	0.4726
Echinococcus granulosus	RUN	0.0098	0.0887	0.1062
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1023	0.3823
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0409	0.0473
Echinococcus granulosus	BC026374 protein S09 family	0.0057	0.0363	0.0434
Onchocerca volvulus		0.0098	0.0887	0.3273
Echinococcus granulosus	geminin	0.0164	0.1741	0.2082
Loa Loa (eye worm)	phosphofructokinase	0.0108	0.1023	0.101
Brugia malayi	Carboxylesterase family protein	0.0057	0.0363	0.035
Echinococcus granulosus	neuroligin	0.0057	0.0363	0.0434
Schistosoma mansoni	single-minded	0.0048	0.0254	0.0288
Loa Loa (eye worm)	carboxylesterase	0.0057	0.0363	0.035
Schistosoma mansoni	rab6-interacting	0.0098	0.0887	0.1047
Schistosoma mansoni	gliotactin	0.0057	0.0363	0.0418
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.2622	0.3126
Loa Loa (eye worm)	hypothetical protein	0.0808	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Schistosoma mansoni	loxhd1	0.0098	0.0887	0.1047
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0467	0.0559
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0808	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0467	0.0196
Mycobacterium ulcerans	6-phosphofructokinase	0.0108	0.1023	0.8477
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0277	0.1012
Plasmodium falciparum	LCCL domain-containing protein	0.0098	0.0887	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0467	0.0543
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0008	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0409	0.0473
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.0277	0.0331
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0014	0.0017
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0467	0.0453
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.1023	0.1209
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0363	0.0418
Schistosoma mansoni	rab6-interacting	0.0098	0.0887	0.1047
Schistosoma mansoni	hypothetical protein	0.0164	0.1741	0.2069
Brugia malayi	hypothetical protein	0.0098	0.0887	0.0875
Echinococcus multilocularis	acetylcholinesterase	0.0337	0.3958	0.4726
Schistosoma mansoni	lipoxygenase	0.0398	0.4743	0.5667
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0523	0.061
Loa Loa (eye worm)	carboxylesterase	0.0337	0.3958	0.3949
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.0277	0.1012
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0467	0.0196
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0242	0.0273
Echinococcus granulosus	6 phosphofructokinase	0.0108	0.1023	0.1224
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.0385	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0132	0.0118
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0242	0.0228
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.017	0.061
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0008	0.5
Brugia malayi	jmjC domain containing protein	0.0059	0.0385	0.0371
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0132	0.0409
Onchocerca volvulus		0.0057	0.0363	0.1286
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.1023	0.101
Loa Loa (eye worm)	hypothetical protein	0.0316	0.369	0.3681
Brugia malayi	hypothetical protein	0.0233	0.2622	0.2612
Brugia malayi	hypoxia-induced factor 1	0.015	0.1558	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Echinococcus granulosus	para nitrobenzyl esterase	0.0057	0.0363	0.0434
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.0254	0.0288
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0523	0.061
Brugia malayi	PAS domain containing protein	0.0048	0.0254	0.0241
Echinococcus multilocularis	acetylcholinesterase	0.0337	0.3958	0.4726
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.0385	0.0444
Schistosoma mansoni	hypothetical protein	0.0098	0.0887	0.1047
Echinococcus granulosus	acetylcholinesterase	0.0337	0.3958	0.4735
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0363	0.035
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0108	0.1023	0.7979
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0808	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.0277	0.0263
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0523	0.051
Echinococcus multilocularis	RUN	0.0098	0.0887	0.1047
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0098	0.0887	0.1047
Trichomonas vaginalis	spcc417.12 protein, putative	0.0057	0.0363	0.1338
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0057	0.0363	0.0418
Loa Loa (eye worm)	acetylcholinesterase 1	0.0337	0.3958	0.3949
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.017	0.061
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0409	0.2882
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0083	0.0694	0.083
Onchocerca volvulus		0.0041	0.016	0.0516
Plasmodium vivax	SET domain protein, putative	0.003	0.0014	0.0071
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.0385	0.0444

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)	= 57 %	Growth inhibition of human MCF7 cells assessed as cell growth at 20 uM after 96 hrs using crystal violet staining by microtiter assay relative to control	ChEMBL.	19196515
GI (functional)	= 72 %	Growth inhibition of human 5637 cells assessed as cell growth at 20 uM after 96 hrs using crystal violet staining by microtiter assay relative to control	ChEMBL.	19196515
GI (functional)	= 81 %	Growth inhibition of human A427 cells assessed as cell growth at 20 uM after 96 hrs using crystal violet staining by microtiter assay relative to control	ChEMBL.	19196515
GI (functional)	= 99 %	Growth inhibition of human DAN-G cells assessed as cell growth at 20 uM after 96 hrs using crystal violet staining by microtiter assay relative to control	ChEMBL.	19196515
GI (functional)	= 100 %	Growth inhibition of human RT4 cells assessed as cell growth at 20 uM after 96 hrs using crystal violet staining by microtiter assay relative to control	ChEMBL.	19196515
Ki (binding)	= 17 nM	Displacement of [3H](+)-pentazocine from sigma1 opioid receptor in guinea pig brain by solid scintillation counting	ChEMBL.	19196515

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL472049

Bibliographic References

No literature references available for this target.

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Detailed information for compound 972432