TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 205.271 | Formula: C13H16FN
H donors: 0 H acceptors: 0 LogP: 2.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: FC[C@@H](N(CC#C)C)Cc1ccccc1
InChi: 1S/C13H16FN/c1-3-9-15(2)13(11-14)10-12-7-5-4-6-8-12/h1,4-8,13H,9-11H2,2H3/t13-/m0/s1
InChiKey: FPPVPPCQNSSPGJ-ZDUSSCGKSA-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	monoamine oxidase B	Starlite/ChEMBL	References
Homo sapiens	monoamine oxidase A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	Get druggable targets OG5_130722	All targets in OG5_130722
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	amine oxidase, flavin-containing family protein	monoamine oxidase B	520 aa	462 aa	19.7 %
Brugia malayi	amine oxidase, flavin-containing family protein	monoamine oxidase A	527 aa	474 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0168	0.0642	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0014	0.003
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0014	0.003
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0025	0.004	0.0098
Schistosoma mansoni	heat shock protein	0.0032	0.0067	0.0172
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0151	0.057	0.1532
Echinococcus granulosus	heat shock protein	0.0032	0.0067	0.0172
Toxoplasma gondii	heat shock protein HSP90	0.0032	0.0067	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0203	0.054
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0067	0.087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0121	0.0319
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0037	0.036
Schistosoma mansoni	lipoxygenase	0.0019	0.0014	0.003
Treponema pallidum	fructose-bisphosphate aldolase	0.0285	0.1136	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0024	0.0036	0.0089
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0037	0.036
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0424	0.1138
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.2383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0036	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0037	0.0091
Brugia malayi	Doublecortin family protein	0.0019	0.0014	0.0038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0121	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0168	0.0642	0.1725
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0024	0.0036	0.0089
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0026	0.0061
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0151	0.057	0.0574
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0121	0.0319
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.1136	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Loa Loa (eye worm)	endoplasmin	0.0032	0.0067	0.0172
Loa Loa (eye worm)	heat shock protein 90	0.0032	0.0067	0.0172
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.004	0.0218
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0037	0.036
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0053	0.0135
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0168	0.0642	1
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.0067	1
Brugia malayi	Bromodomain containing protein	0.0037	0.0091	0.0245
Mycobacterium ulcerans	oxidoreductase	0.0168	0.0642	0.0605
Onchocerca volvulus		0.0151	0.057	0.8861
Echinococcus multilocularis	heat shock protein	0.0032	0.0067	0.0172
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.1136	1
Schistosoma mansoni	loxhd1	0.0019	0.0014	0.003
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0168	0.0642	0.5
Echinococcus granulosus	neuroligin	0.0151	0.057	0.1532
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0168	0.0642	0.1725
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0168	0.0642	1
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0036	0.0089
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0024	0.0036	0.0386
Brugia malayi	hypothetical protein	0.0019	0.0014	0.0038
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.016	0.0424
Echinococcus granulosus	microtubule associated protein 2	0.0672	0.2773	0.7483
Trypanosoma cruzi	heat shock protein 90, putative	0.0032	0.0067	0.087
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0067	0.087
Schistosoma mansoni	polycystin 1-related	0.0019	0.0014	0.003
Schistosoma mansoni	BC026374 protein (S09 family)	0.0151	0.057	0.1532
Loa Loa (eye worm)	jmjC domain-containing protein	0.0024	0.0036	0.0089
Onchocerca volvulus		0.0151	0.057	0.8861
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0014	0.003
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Schistosoma mansoni	acetylcholinesterase	0.0151	0.057	0.1532
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0121	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0168	0.0642	0.0605
Brugia malayi	hypothetical protein	0.0019	0.0014	0.0038
Schistosoma mansoni	hypothetical protein	0.0019	0.0014	0.003
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Echinococcus multilocularis	heat shock protein 90	0.0025	0.004	0.0098
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0014	0.003
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0025	0.004	0.0054
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0024	0.0036	0.0353
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0037	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Loa Loa (eye worm)	carboxylesterase	0.0893	0.3705	1
Schistosoma mansoni	jumonji domain containing protein	0.0131	0.0487	0.1308
Brugia malayi	jmjC domain containing protein	0.0094	0.0328	0.0886
Echinococcus granulosus	heat shock protein 90	0.0025	0.004	0.0098
Toxoplasma gondii	histone lysine-specific demethylase	0.0168	0.0642	1
Schistosoma mansoni	zinc finger protein	0.0019	0.0014	0.0028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0121	0.0319
Echinococcus multilocularis	neuroligin	0.0151	0.057	0.1532
Echinococcus granulosus	lysine specific demethylase 5A	0.0094	0.0328	0.0878
Mycobacterium ulcerans	dehydrogenase	0.0168	0.0642	0.0605
Brugia malayi	Bromodomain containing protein	0.0031	0.0063	0.0169
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0893	0.3705	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0024	0.0036	0.0089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0121	0.0319
Echinococcus multilocularis	jumonji domain containing 1A	0.0024	0.0036	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0135
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.004	0.0218
Echinococcus multilocularis	phd:f box containing protein	0.0024	0.0036	0.0089
Schistosoma mansoni	rab6-interacting	0.0019	0.0014	0.003
Brugia malayi	jmjC domain containing protein	0.0024	0.0036	0.0098
Trypanosoma cruzi	Heat shock protein 83, putative	0.0032	0.0067	0.087
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0053	0.0135
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.004	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Brugia malayi	Carboxylesterase family protein	0.0893	0.3705	1
Onchocerca volvulus		0.0151	0.057	0.8861
Leishmania major	UDP-galactopyranose mutase	0.0168	0.0642	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0037	0.0008
Echinococcus granulosus	zinc finger protein	0.0019	0.0014	0.0028
Brugia malayi	jmjC domain containing protein	0.0024	0.0036	0.0098
Plasmodium vivax	hypothetical protein, conserved	0.0168	0.0642	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0032	0.0067	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0026	0.0061
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Onchocerca volvulus		0.0151	0.057	0.8861
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0014	0.003
Schistosoma mansoni	amine oxidase	0.0168	0.0642	0.1725
Schistosoma mansoni	microtubule-associated protein tau	0.0672	0.2773	0.7483
Echinococcus multilocularis	RUN	0.0019	0.0014	0.003
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Brugia malayi	Carboxylesterase family protein	0.0151	0.057	0.1539
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0168	0.0642	0.0651
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0037	0.0008
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0037	0.0152
Plasmodium vivax	hypothetical protein, conserved	0.0168	0.0642	1
Plasmodium falciparum	endoplasmin, putative	0.0019	0.0015	0.0014
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0006	0.0007
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0151	0.057	0.1532
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0081	0.021
Echinococcus multilocularis	acetylcholinesterase	0.0893	0.3705	1
Plasmodium vivax	endoplasmin, putative	0.0032	0.0067	0.0838
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0151	0.057	0.4954
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0168	0.0642	0.1725
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Loa Loa (eye worm)	carboxylesterase	0.0151	0.057	0.1532
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.01	0.0261
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0168	0.0642	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0024	0.0036	0.0089
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.0521	0.7987
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0053	0.0135
Schistosoma mansoni	protein phosphatase 2C	0.0024	0.0036	0.0089
Echinococcus multilocularis	acetylcholinesterase	0.0893	0.3705	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.016	0.0424
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0026	0.0044	0.0111
Brugia malayi	SWIRM domain containing protein	0.0168	0.0642	0.1732
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0151	0.057	0.1532
Echinococcus granulosus	jumonji domain containing 1A	0.0024	0.0036	0.0089
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0032	0.0067	0.0248
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Loa Loa (eye worm)	carboxylesterase	0.0151	0.057	0.1532
Echinococcus multilocularis	zinc finger protein	0.0019	0.0014	0.0028
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0018	0.004
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Echinococcus granulosus	JmjC domain containing protein 4	0.0024	0.0036	0.0089
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0151	0.057	0.0574
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0168	0.0642	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0151	0.057	0.1532
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0151	0.057	0.4954
Plasmodium vivax	JmjC domain containing protein	0.0024	0.0036	0.0353
Echinococcus granulosus	acetylcholinesterase	0.0893	0.3705	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0893	0.3705	1
Schistosoma mansoni	bromodomain containing protein	0.0062	0.0193	0.0514
Mycobacterium tuberculosis	Possible oxidoreductase	0.0168	0.0642	0.0651
Echinococcus granulosus	RUN	0.0019	0.0014	0.003
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0168	0.0642	1
Brugia malayi	Carboxylesterase family protein	0.0151	0.057	0.1539
Echinococcus granulosus	BC026374 protein S09 family	0.0151	0.057	0.1532
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0224	0.0597
Brugia malayi	MH2 domain containing protein	0.0116	0.0424	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0893	0.3705	1
Brugia malayi	Carboxylesterase family protein	0.0151	0.057	0.1539
Brugia malayi	heat shock protein 90	0.0032	0.0067	0.018
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Brugia malayi	hypothetical protein	0.0151	0.057	0.1539
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.2215	0.9291	1
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.0067	0.0461
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Schistosoma mansoni	phd/f-box containing protein	0.0024	0.0036	0.0089
Schistosoma mansoni	lipoxygenase	0.0054	0.016	0.0424
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0053	0.0135
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0121	0.0319
Onchocerca volvulus	Alhambra homolog	0.0028	0.0053	0.0619
Brugia malayi	hypothetical protein	0.0025	0.0037	0.0099
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0151	0.057	0.1532
Echinococcus granulosus	jumonji domain containing protein	0.004	0.01	0.0261
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0053	0.0619
Echinococcus multilocularis	peregrin	0.0031	0.0063	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0893	0.3705	1
Echinococcus granulosus	heat shock protein 90	0.0032	0.0067	0.0172
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Brugia malayi	jmjC domain containing protein	0.015	0.0568	0.1533
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Echinococcus multilocularis	heat shock protein 90	0.0032	0.0067	0.0172
Brugia malayi	Bromodomain containing protein	0.0073	0.0242	0.0652
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0053	0.0619
Brugia malayi	jmjC domain containing protein	0.0024	0.0036	0.0098
Schistosoma mansoni	hypothetical protein	0.0028	0.0053	0.0135
Echinococcus granulosus	carboxylesterase 5A	0.0893	0.3705	1
Echinococcus multilocularis	microtubule associated protein 2	0.0672	0.2773	0.7483
Mycobacterium ulcerans	carboxylesterase, LipT	0.0151	0.057	0.0533
Brugia malayi	PHD-finger family protein	0.0028	0.0053	0.0143
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0081	0.021
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0014	0.003
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Onchocerca volvulus		0.0168	0.0642	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.004	0.0438
Echinococcus granulosus	para nitrobenzyl esterase	0.0151	0.057	0.1532
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.0521	0.052
Echinococcus granulosus	phd:f box containing protein	0.0024	0.0036	0.0089
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0037	0.0393
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0168	0.0642	1
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Brugia malayi	PHD-finger family protein	0.0024	0.0036	0.0096
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0014	0.003
Schistosoma mansoni	endoplasmin	0.0032	0.0067	0.0172
Plasmodium falciparum	heat shock protein 90	0.0032	0.0067	0.0838
Echinococcus multilocularis	carboxylesterase 5A	0.0893	0.3705	1
Echinococcus granulosus	peregrin	0.0031	0.0063	0.0161
Schistosoma mansoni	heat shock protein	0.0032	0.0067	0.0172
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.0521	0.0483
Echinococcus multilocularis	endoplasmin	0.0025	0.004	0.0098
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0151	0.057	0.1532
Trypanosoma cruzi	heat shock protein 90, putative	0.0025	0.004	0.0438
Schistosoma mansoni	phosphatidylserine receptor	0.0024	0.0036	0.0089
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0168	0.0642	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.015	0.0568	0.1526
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.015	0.0568	0.1526
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0179	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Echinococcus granulosus	endoplasmin	0.0025	0.004	0.0098
Toxoplasma gondii	heat shock protein 90, putative	0.0032	0.0067	0.0504
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0053	0.0276
Giardia lamblia	PHD finger protein 15	0.0028	0.0053	0.0123
Brugia malayi	Carboxylesterase family protein	0.0151	0.057	0.1539
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0053	0.0276
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0026	0.0044	0.0111
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0151	0.057	0.0574
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0094	0.0328	0.0878
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Echinococcus multilocularis	para nitrobenzyl esterase	0.0151	0.057	0.1532
Schistosoma mansoni	amine oxidase	0.0168	0.0642	0.1725
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0181	0.048
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0168	0.0642	0.1725
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Echinococcus multilocularis	lysine specific demethylase 6a	0.0024	0.0036	0.0089
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0024	0.0036	0.0386
Giardia lamblia	Fructose-bisphosphate aldolase	0.0285	0.1136	1
Onchocerca volvulus		0.0151	0.057	0.8861
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0121	0.0319
Schistosoma mansoni	endoplasmin	0.0032	0.0067	0.0172
Schistosoma mansoni	jumonji domain containing protein	0.0024	0.0036	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0109	0.0285
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0424	0.1138
Brugia malayi	Carboxylesterase family protein	0.0893	0.3705	1
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0091	0.0237
Mycobacterium ulcerans	monoamine oxidase	0.0168	0.0642	0.0605
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0179	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0642	0.1725
Loa Loa (eye worm)	hypothetical protein	0.004	0.0101	0.0263
Brugia malayi	amine oxidase, flavin-containing family protein	0.0168	0.0642	0.1732
Schistosoma mansoni	hypothetical protein	0.002	0.0018	0.004
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.0067	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0168	0.0642	1
Brugia malayi	Endoplasmin precursor	0.0032	0.0067	0.018
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0151	0.057	0.1532
Echinococcus granulosus	acetylcholinesterase	0.0893	0.3705	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0025	0.004	0.5
Leishmania major	heat shock protein 83-1	0.0032	0.0067	0.0504
Plasmodium vivax	heat shock protein 86, putative	0.0032	0.0067	0.0838
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0067	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0168	0.0642	0.1725
Echinococcus multilocularis	lysine specific demethylase 5A	0.0092	0.032	0.0857
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0014	0.003
Schistosoma mansoni	rab6-interacting	0.0019	0.0014	0.003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0121	0.0319
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0067	0.087
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0014	0.003
Echinococcus granulosus	lysine specific demethylase 6a	0.0024	0.0036	0.0089
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0026	0.0061
Brugia malayi	jmjC domain containing protein	0.0024	0.0036	0.0098
Schistosoma mansoni	gliotactin	0.0151	0.057	0.1532
Brugia malayi	hypothetical protein	0.0168	0.0642	0.1732
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0094	0.0328	0.0878
Echinococcus multilocularis		0.0168	0.0642	0.1725
Loa Loa (eye worm)	hypothetical protein	0.0151	0.057	0.1532
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0094	0.0328	0.0878
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.1136	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0168	0.0642	0.1725

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 170.5 nM	Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay	ChEMBL.	21923198
IC50 (binding)	> 2 uM	Inhibition of human recombinant MAO-A expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay	ChEMBL.	21923198

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: CHEMBL1911928

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1578514