TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 197.704 | Formula: C11H16ClN
H donors: 1 H acceptors: 0 LogP: 2.74 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChi: 1S/C11H15N.ClH/c1-2-11(12)8-10(11)9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-,11+;/m1./s1
InChiKey: OFKMTCIYSCVDFY-DHXVBOOMSA-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
Homo sapiens	lysine (K)-specific demethylase 1A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	SWIRM domain containing protein	Get druggable targets OG5_130448	All targets in OG5_130448
Echinococcus granulosus	lysine specific histone demethylase 1A	Get druggable targets OG5_130448	All targets in OG5_130448
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Echinococcus multilocularis	lysine specific histone demethylase 1A	Get druggable targets OG5_130448	All targets in OG5_130448
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130448	All targets in OG5_130448
Onchocerca volvulus		Get druggable targets OG5_130448	All targets in OG5_130448
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130448	All targets in OG5_130448
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	Get druggable targets OG5_130722	All targets in OG5_130722
Schistosoma japonicum	Lysine-specific histone demethylase 1, putative	Get druggable targets OG5_130448	All targets in OG5_130448
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130448	All targets in OG5_130448
Schistosoma japonicum	ko:K00540 amine oxidase (flavin containing) domain 2 [EC:1.-.-.-], putative	Get druggable targets OG5_130448	All targets in OG5_130448
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	Get druggable targets OG5_130722	All targets in OG5_130722
Schistosoma mansoni	Lysine-specific histone demethylase 1	Get druggable targets OG5_130448	All targets in OG5_130448

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
Brugia malayi	G protein-coupled receptor F59B2.13	0.0238	0.248	0.6406
Echinococcus granulosus	g protein coupled receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0075	0.0012	0.003
Onchocerca volvulus		0.0238	0.248	1
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	g protein coupled receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Melatonin receptor type 1A	0.0238	0.248	0.6406
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Entamoeba histolytica	protein kinase, putative	0.0213	0.2105	0.5424
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0238	0.248	0.6395
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	growth hormone secretagogue receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	nervana 2	0.0138	0.0967	0.2474
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	neuropeptides capa receptor	0.0238	0.248	0.6395
Echinococcus granulosus	7tm_1 domain containing protein	0.0238	0.248	0.6395
Schistosoma mansoni	amine GPCR	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	neuropeptide F-like receptor	0.0238	0.248	0.6395
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	Glutaredoxin protein 5	0.0138	0.0967	0.2474
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Echinococcus multilocularis	fmrfamide receptor	0.0238	0.248	0.6395
Echinococcus granulosus	G protein coupled receptor 139	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0894	0.231
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Entamoeba histolytica	protein kinase 2, putative	0.0143	0.1037	0.2657
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Protein kinase domain containing protein	0.033	0.3872	1
Echinococcus granulosus	neuropeptide receptor A26	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	neuropeptide Y receptor	0.0238	0.248	0.6395
Echinococcus granulosus	hypothetical protein	0.0238	0.248	0.6395
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	phosphoinositide-dependent protein kinase I	0.033	0.3872	1
Schistosoma mansoni	amine GPCR	0.0238	0.248	0.6395
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0075	0.0012	0.003
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0238	0.248	0.6406
Echinococcus granulosus	fmrfamide receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	TYRA-2 protein	0.0238	0.248	0.6406
Brugia malayi	Serotonin receptor	0.0238	0.248	0.6406
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0238	0.248	0.6395
Echinococcus granulosus	acetylcholinesterase	0.028	0.3121	0.8054
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0238	0.248	0.6395
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0012	0.003
Echinococcus multilocularis	orexin receptor type 2	0.0238	0.248	0.6395
Schistosoma mansoni	opsin-like receptor	0.0238	0.248	0.6395
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0238	0.248	0.6395
Brugia malayi	ORL1-like opioid receptor	0.0238	0.248	0.6406
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptides capa receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.028	0.3121	0.806
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	hypothetical protein	0.0238	0.248	0.6395
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	protein kinase C II.	0.0075	0.0012	0.003
Echinococcus multilocularis	acetylcholinesterase	0.028	0.3121	0.8054
Trichomonas vaginalis	AGC family protein kinase	0.033	0.3872	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0238	0.248	0.6395
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0238	0.248	0.6395
Echinococcus multilocularis	Glutaredoxin protein 5	0.0138	0.0967	0.2474
Loa Loa (eye worm)	hypothetical protein	0.028	0.3121	0.806
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0133	0.0894	0.2287
Echinococcus granulosus	biogenic amine 5HT receptor	0.0238	0.248	0.6395
Brugia malayi	putative neuropeptide receptor	0.0238	0.248	0.6406
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0734	1	0.5
Onchocerca volvulus		0.0238	0.248	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0227	0.2315	0.5979
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptide Y receptor	0.0238	0.248	0.6395
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Loa Loa (eye worm)	neuropeptide F receptor	0.0238	0.248	0.6406
Onchocerca volvulus		0.0238	0.248	1
Giardia lamblia	Kinase, AGC PKA	0.0143	0.1037	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0238	0.248	0.6406
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Brugia malayi	Hr1 repeat family protein	0.0075	0.0012	0.003
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0238	0.248	0.6395
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0238	0.248	0.6406
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.028	0.3121	0.8054
Schistosoma mansoni	hypothetical protein	0.0238	0.248	0.6395
Toxoplasma gondii	AGC kinase	0.0213	0.2105	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	serotonin receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Loa Loa (eye worm)	melatonin receptor type 1A	0.0238	0.248	0.6406
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0238	0.248	0.6406
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0157	0.1247	0.32
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Echinococcus granulosus	somatostatin receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	neuropeptide receptor	0.0238	0.248	0.6395
Brugia malayi	AKH receptor	0.0238	0.248	0.6406
Echinococcus granulosus	7TM GPCR rhodopsin	0.0238	0.248	0.6395
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0143	0.1037	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0894	0.231
Schistosoma mansoni	neuropeptide F-like receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Entamoeba histolytica	protein kinase, putative	0.033	0.3872	1
Schistosoma mansoni	biogenic amine receptor	0.0238	0.248	0.6395
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	sex peptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0238	0.248	0.6395
Schistosoma mansoni	opsin-like receptor	0.0238	0.248	0.6395
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0238	0.248	0.6395
Brugia malayi	Protein kinase domain containing protein	0.0227	0.2315	0.5979
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0238	0.248	0.6395
Echinococcus multilocularis	g protein coupled receptor	0.0238	0.248	0.6395
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0157	0.1247	0.32
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	hypothetical protein	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0238	0.248	0.6395
Echinococcus granulosus	g protein coupled receptor	0.0238	0.248	0.6395
Schistosoma mansoni	adenoreceptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Protein kinase domain containing protein	0.0075	0.0012	0.003
Brugia malayi	putative neuropeptide receptor NPR1	0.0238	0.248	0.6406
Onchocerca volvulus		0.0238	0.248	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0238	0.248	0.6395
Loa Loa (eye worm)	neuropeptide F receptor	0.0238	0.248	0.6406
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0238	0.248	0.6395
Echinococcus granulosus	allatostatin A receptor	0.0238	0.248	0.6395
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Echinococcus granulosus	nervana 2	0.0138	0.0967	0.2474
Echinococcus multilocularis	g-protein coupled receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0238	0.248	0.6395
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Brugia malayi	RE15519p	0.0238	0.248	0.6406
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0238	0.248	0.6406
Trichomonas vaginalis	AGC family protein kinase	0.033	0.3872	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0238	0.248	0.6395
Schistosoma mansoni	biogenic amine receptor	0.0238	0.248	0.6395
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0143	0.1037	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.1001	0.2585
Loa Loa (eye worm)	acetylcholinesterase 1	0.028	0.3121	0.806
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.033	0.3872	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0238	0.248	0.6395
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Dopamine receptor protein 1	0.0238	0.248	0.6406
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Echinococcus multilocularis	acetylcholinesterase	0.028	0.3121	0.8054
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	opsin-like receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0227	0.2315	0.5
Echinococcus multilocularis	serotonin receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptide receptor A26	0.0238	0.248	0.6395
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0238	0.248	0.6395
Echinococcus granulosus	orexin receptor type 2	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	nervana 2	0.0138	0.0967	0.2474
Brugia malayi	Serotonin receptor	0.0238	0.248	0.6406
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0238	0.248	1
Echinococcus multilocularis	somatostatin receptor	0.0238	0.248	0.6395
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptide s receptor	0.0238	0.248	0.6395
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	neuropeptide receptor	0.0238	0.248	0.6395
Entamoeba histolytica	protein kinase, putative	0.0227	0.2315	0.5967
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0143	0.1037	0.2657
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Brugia malayi	SWIRM domain containing protein	0.014	0.1001	0.2585
Brugia malayi	neuropeptide F receptor	0.0238	0.248	0.6406
Echinococcus multilocularis	dro:myosuppressin receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptides capa receptor	0.0238	0.248	0.6395
Trichomonas vaginalis	AGC family protein kinase	0.0089	0.0221	0.0543
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0238	0.248	0.6395
Trichomonas vaginalis	AGC family protein kinase	0.033	0.3872	1
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.033	0.3872	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	amine GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	neuropeptides capa receptor	0.0238	0.248	0.6395
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0238	0.248	0.6406
Echinococcus granulosus	g protein coupled receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	G-protein coupled receptor	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	G protein-coupled receptor	0.0238	0.248	0.6406
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0238	0.248	0.6395
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0238	0.248	0.6406
Schistosoma mansoni	serine/threonine-protein kinase	0.0157	0.1247	0.32
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0213	0.2105	0.5437
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0133	0.0894	0.2287
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	serine/threonine protein kinase	0.033	0.3872	1
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	carboxylesterase 5A	0.028	0.3121	0.8054
Entamoeba histolytica	protein kinase, putative	0.0227	0.2315	0.5967
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0238	0.248	0.6395
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0157	0.1247	1
Brugia malayi	G-protein coupled receptor	0.0238	0.248	0.6406
Echinococcus multilocularis	neuropeptide receptor	0.0238	0.248	0.6395
Echinococcus granulosus	g-protein coupled receptor	0.0238	0.248	0.6395
Echinococcus granulosus	neuropeptide FF receptor 2	0.0238	0.248	0.6395
Brugia malayi	Dopamine receptor	0.0238	0.248	0.6406
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0075	0.0012	0.003
Brugia malayi	Carboxylesterase family protein	0.028	0.3121	0.806
Brugia malayi	neuropeptide F receptor	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0012	0.003
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	serine/threonine protein kinase	0.0157	0.1247	0.32
Loa Loa (eye worm)	carboxylesterase	0.028	0.3121	0.806
Echinococcus granulosus	neuropeptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0238	0.248	0.6395
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0238	0.248	0.6406
Echinococcus multilocularis	neuropeptide Y receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0667	0.8979	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Brugia malayi	Dopamine receptor protein 2	0.0238	0.248	0.6406
Echinococcus granulosus	serine threonine protein kinase nrc	0.0143	0.1037	0.2657
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0238	0.248	0.6395
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0238	0.248	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0075	0.0012	0.003
Onchocerca volvulus		0.0238	0.248	1
Echinococcus granulosus	neuropeptide Y receptor	0.0238	0.248	0.6395
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0138	0.0967	0.2474
Schistosoma mansoni	histamine h1 receptor	0.0238	0.248	0.6395
Schistosoma mansoni	biogenic amine receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	hypothetical protein	0.0238	0.248	0.6395
Brugia malayi	GnHR receptor homolog	0.0238	0.248	0.6406
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0138	0.0967	0.2474
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	G-protein coupled receptor	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	serotonin receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Echinococcus multilocularis	g protein coupled receptor	0.0238	0.248	0.6395
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Brugia malayi	larval opioid receptor	0.0238	0.248	0.6406
Echinococcus granulosus	nervana 2	0.0138	0.0967	0.2474
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0075	0.0012	0.003
Trypanosoma cruzi	Protein kinase B	0.0157	0.1247	1
Trichomonas vaginalis	AGC family protein kinase	0.0227	0.2315	0.5967
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0238	0.248	0.6395
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0143	0.1037	0.2657
Loa Loa (eye worm)	G-protein coupled receptor	0.0238	0.248	0.6406
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0238	0.248	0.6395
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0075	0.0012	0.003
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	amine GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	tm gpcr rhodopsin	0.0238	0.248	0.6395
Brugia malayi	p70 ribosomal S6 kinase beta	0.0213	0.2105	0.5437
Onchocerca volvulus		0.0238	0.248	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Brugia malayi	Carboxylesterase family protein	0.028	0.3121	0.806
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0238	0.248	0.6395
Schistosoma mansoni	neuropeptide receptor	0.0238	0.248	0.6395
Echinococcus granulosus	sex peptide receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus multilocularis	allatostatin A receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	G protein coupled receptor 139	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	dro:myosuppressin receptor	0.0238	0.248	0.6395
Schistosoma mansoni	amine GPCR	0.0238	0.248	0.6395
Echinococcus multilocularis	rac serine:threonine kinase	0.0157	0.1247	0.32
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	acetylcholinesterase	0.028	0.3121	0.8054
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.033	0.3872	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0238	0.248	0.6406
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0238	0.248	0.6395
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.033	0.3872	1
Schistosoma mansoni	myosin xvIII	0.0238	0.248	0.6395
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Schistosoma mansoni	neuropeptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0238	0.248	0.6395
Echinococcus granulosus	neuropeptide s receptor	0.0238	0.248	0.6395
Echinococcus granulosus	biogenic amine 5HT receptor	0.0238	0.248	0.6395
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0238	0.248	0.6395
Echinococcus granulosus	tm gpcr rhodopsin	0.0238	0.248	0.6395
Brugia malayi	hypothetical protein	0.0238	0.248	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0238	0.248	0.6406
Echinococcus granulosus	neuropeptide receptor	0.0238	0.248	0.6395
Echinococcus multilocularis	neuropeptide receptor	0.0238	0.248	0.6395
Schistosoma mansoni	serine/threonine-protein kinase	0.0157	0.1247	0.32
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0238	0.248	0.6395
Onchocerca volvulus		0.0238	0.248	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0238	0.248	0.6395
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0133	0.0894	0.2287
Echinococcus granulosus	carboxylesterase 5A	0.028	0.3121	0.8054
Brugia malayi	sulfakinin receptor protein	0.0238	0.248	0.6406

Activities

Activity type	Activity value	Assay description	Source	Reference
FC (binding)	= 4.5	Inhibition of KDM1A in human NB4 cells assessed as increase in Gfi-1b mRNA expression at biochemical IC50 level incubated for 24 hrs by quantitative RT-PCR method	ChEMBL.	25173853
IC50 (binding)	= 0.088 uM	Inhibition of human recombinant MAOB expressed in Pichia pastoris incubated for 15 mins by bioluminescent-coupled assay	ChEMBL.	25173853
IC50 (binding)	= 0.608 uM	Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay	ChEMBL.	25173853
IC50 (binding)	= 1.43 uM	Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay	ChEMBL.	25173853

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: CHEMBL3330340

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 928013