TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.486 | Formula: C24H24N6O2
H donors: 3 H acceptors: 5 LogP: 2.34 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H](c1cccnc1)CNCCc1ccc(cc1)NC(=O)c1ccccc1n1nccn1
InChi: 1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
InChiKey: JANYIILYPVTKHH-QHCPKHFHSA-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	adrenoceptor beta 3	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor beta 2, surface	Starlite/ChEMBL	References
Homo sapiens	adrenoceptor beta 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	jmjC domain-containing protein	0.0017	0.0002	0.0002
Echinococcus multilocularis	JmjC domain containing protein 4	0.0017	0.0002	0.0002
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0016	0	0.0001
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0016	0	0.0001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.05	0.1016
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0304	0.0304
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0114	0.1986	0.4032
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0078	0.1246	1
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.05	0.4018
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0078	0.1246	0.2529
Entamoeba histolytica	hypothetical protein	0.0079	0.1261	0.6718
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.093	0.3631
Loa Loa (eye worm)	beta-lactamase	0.0041	0.05	0.05
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0649	0.0649
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0078	0.1246	0.2529
Schistosoma mansoni	hypothetical protein	0.0016	0	0.0001
Schistosoma mansoni	voltage-gated potassium channel	0.0035	0.0385	0.1504
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.007	0.108	0.1287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0262	0.0531
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.05	0.05
Onchocerca volvulus		0.016	0.2914	0.5915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0459	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0328	0.0328
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0093	0.1553	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0459	0.0932
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.1173	0.1173
Schistosoma mansoni	opsin-like receptor	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1553	0.1553
Schistosoma mansoni	amine GPCR	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Schistosoma mansoni	amine GPCR	0.0016	0	0.0001
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0263	0.5001	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0971	0.631
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0363	0.0363
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0328	0.1282
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0024	0.0157	0.0157
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0109	0.1871	0.1871
Brugia malayi	jmjC domain containing protein	0.0017	0.0002	0.0002
Brugia malayi	jmjC domain containing protein	0.0017	0.0002	0.0002
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0109	0.1871	0.1871
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0971	0.631
Echinococcus multilocularis	voltage gated potassium channel	0.0035	0.0385	0.0385
Brugia malayi	beta-lactamase family protein	0.0041	0.05	0.05
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.05	0.05
Entamoeba histolytica	hypothetical protein	0.0079	0.1261	0.6718
Trichomonas vaginalis	inositol monophosphatase, putative	0.0078	0.1246	0.2529
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0328	0.0328
Onchocerca volvulus		0.0041	0.05	0.1016
Schistosoma mansoni	jumonji domain containing protein	0.0017	0.0002	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0459	0.0932
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0035	0.0385	0.0385
Giardia lamblia	GTOR	0.0049	0.0663	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0132	0.2345	0.2345
Toxoplasma gondii	ABC1 family protein	0.0041	0.05	0.4007
Echinococcus granulosus	lysine specific demethylase 5A	0.0062	0.093	0.093
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0328	0.2621
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0079	0.1261	0.1261
Schistosoma mansoni	voltage-gated potassium channel	0.0035	0.0385	0.1504
Loa Loa (eye worm)	jmjC domain-containing protein	0.0017	0.0002	0.0002
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0049	0.0663	0.5326
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0024	0.0157	0.0613
Echinococcus granulosus	hyperpolarization activated cyclic	0.0024	0.0157	0.0157
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0649	0.0649
Trichomonas vaginalis	esterase, putative	0.0041	0.05	0.1016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0649	0.2533
Echinococcus multilocularis	lysine specific demethylase 5A	0.0062	0.093	0.093
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0024	0.0157	0.0157
Echinococcus granulosus	hyperpolarization activated cyclic	0.0024	0.0157	0.0157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Onchocerca volvulus		0.0104	0.1773	0.36
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0663	0.1347
Schistosoma mansoni	growth hormone secretagogue receptor	0.0016	0	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0262	0.0531
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0017	0.0002	0.002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Schistosoma mansoni	hypothetical protein	0.0016	0	0.0001
Echinococcus granulosus	phd:f box containing protein	0.0017	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0034	0.0363	0.1419
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0017	0.0002	0.5
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0024	0.0157	0.0157
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0024	0.0157	0.0613
Schistosoma mansoni	neuropeptide receptor	0.0016	0	0.0001
Brugia malayi	jmjC domain containing protein	0.0062	0.093	0.093
Brugia malayi	hypothetical protein	0.0079	0.1261	0.1261
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0016	0	0.0001
Schistosoma mansoni	hypothetical protein	0.0034	0.0363	0.1419
Onchocerca volvulus		0.0259	0.4926	1
Echinococcus granulosus	GPCR family 2	0.0034	0.0363	0.0363
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.05	0.05
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0204	0.0415
Loa Loa (eye worm)	hypothetical protein	0.016	0.2914	0.2914
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0024	0.0157	0.0157
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0024	0.0157	0.0157
Brugia malayi	jmjC domain containing protein	0.0017	0.0002	0.0002
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.0971	0.7793
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0328	0.1282
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0203	0.0413
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0132	0.2345	0.2345
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0649	0.2533
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0037	0.0408	0.3259
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.05	0.05
Brugia malayi	Pre-SET motif family protein	0.0033	0.0328	0.0328
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0649	0.2533
Onchocerca volvulus		0.0041	0.05	0.1016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Loa Loa (eye worm)	inositol-1	0.0078	0.1246	0.1246
Schistosoma mansoni	neuropeptide F-like receptor	0.0016	0	0.0001
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0016	0	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0459	0.0932
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0017	0.0002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0024	0.0157	0.0613
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0024	0.0157	0.0157
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.05	0.4018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0203	0.0413
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0049	0.0663	0.2591
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0049	0.0663	0.0663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0649	0.0649
Echinococcus granulosus	survival motor neuron protein 1	0.0509	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0363	0.0363
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0	0.0001
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0122	0.2149	0.2149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0262	0.0531
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.256	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0114	0.1986	0.4032
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0039	0.046	0.3693
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0203	0.0413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0204	0.0415
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0024	0.0157	0.0157
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1246	1
Schistosoma mansoni	neuropeptide receptor	0.0016	0	0.0001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0649	0.0649
Echinococcus granulosus	lysine specific demethylase 6a	0.0017	0.0002	0.0002
Brugia malayi	hypothetical protein	0.016	0.2914	0.2914
Schistosoma mansoni	voltage-gated potassium channel	0.0134	0.2378	0.9287
Brugia malayi	jmjC domain containing protein	0.0062	0.093	0.093
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1246	1
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.05	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.05	0.1016
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0049	0.0663	0.0663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0256	0.0519
Brugia malayi	beta-lactamase	0.0041	0.05	0.05
Echinococcus multilocularis	survival motor neuron protein 1	0.0509	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0049	0.0663	0.5326
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0363	0.0363
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0142	0.256	0.256
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1246	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0517	0.105
Echinococcus granulosus	JmjC domain containing protein 4	0.0017	0.0002	0.0002
Trypanosoma cruzi	target of rapamycin kinase 3	0.0039	0.046	0.3693
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Schistosoma mansoni	phd/f-box containing protein	0.0017	0.0002	0.001
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0024	0.0157	0.0157
Loa Loa (eye worm)	phosphatidylinositol 3	0.0049	0.0663	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0002	0.0002
Schistosoma mansoni	histamine h1 receptor	0.0016	0	0.0001
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0328	0.1282
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0049	0.0663	0.5326
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0363	0.0363
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0078	0.1246	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0157	0.0157
Onchocerca volvulus		0.0041	0.05	0.1016
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0049	0.0663	0.0663
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Echinococcus granulosus	jumonji domain containing 1A	0.0017	0.0002	0.0002
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0062	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1173	0.1173
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0109	0.1871	0.1871
Schistosoma mansoni	amine GPCR	0.0016	0	0.0001
Schistosoma mansoni	protein phosphatase 2C	0.0017	0.0002	0.001
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0079	0.1261	0.1261
Schistosoma mansoni	neuropeptide F-like receptor	0.0016	0	0.0001
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0035	0.0385	0.0385
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0049	0.0663	0.5326
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0024	0.0157	0.0318
Echinococcus granulosus	inositol monophosphatase 1	0.0078	0.1246	0.1246
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0016	0	0.0001
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0328	0.0328
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0971	0.3791
Schistosoma mansoni	hypothetical protein	0.0104	0.1773	0.6926
Schistosoma mansoni	hypothetical protein	0.0034	0.0363	0.1419
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.0971	0.1045
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0122	0.2149	0.2149
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.0971	0.0971
Brugia malayi	Pre-SET motif family protein	0.0228	0.4287	0.4287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0335	0.068
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0039	0.046	0.3693
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0649	0.0649
Schistosoma mansoni	hypothetical protein	0.0074	0.1173	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1821	0.1821
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0024	0.0157	0.0613
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0228	0.4287	0.4287
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0049	0.0663	0.5326
Echinococcus multilocularis	phd:f box containing protein	0.0017	0.0002	0.0002
Schistosoma mansoni	voltage-gated potassium channel	0.0134	0.2378	0.9287
Schistosoma mansoni	survival motor neuron protein	0.0104	0.1773	0.6926
Schistosoma mansoni	60S ribosomal protein L21	0.0019	0.0057	0.0223
Schistosoma mansoni	jumonji domain containing protein	0.0062	0.093	0.3631
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0363	0.0363
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0	0.0001
Leishmania major	hypothetical protein, conserved	0.0017	0.0002	0.002
Schistosoma mansoni	opsin-like receptor	0.0016	0	0.0001
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0016	0	0.0001
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0078	0.1246	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0363	0.1419
Schistosoma mansoni	biogenic amine receptor	0.0016	0	0.0001
Schistosoma mansoni	transcription factor LCR-F1	0.0079	0.1261	0.4926
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0204	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0663	0.1347
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0016	0	0.0001
Entamoeba histolytica	hypothetical protein	0.0079	0.1261	0.6718
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0017	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0016	0	0.0001
Brugia malayi	jmjC domain containing protein	0.0017	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0002	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0408	0.0827
Trichomonas vaginalis	set domain proteins, putative	0.0259	0.4926	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0002	0.0002
Echinococcus multilocularis	jumonji domain containing 1A	0.0017	0.0002	0.0002
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0024	0.0157	0.0157
Brugia malayi	beta-lactamase family protein	0.0041	0.05	0.05
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0363	0.0363
Schistosoma mansoni	neuropeptide receptor	0.0016	0	0.0001
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0024	0.0157	0.0157
Schistosoma mansoni	hypothetical protein	0.0016	0	0.0001
Schistosoma mansoni	inositol monophosphatase	0.0078	0.1246	0.4865
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0093	0.1553	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0016	0	0.0001
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0971	0.631
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0035	0.0385	0.0385
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.05	0.1016
Echinococcus multilocularis	inositol monophosphatase 1	0.0078	0.1246	0.1246
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.256	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.05	0.1016
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0024	0.0157	0.0157
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.05	0.4018
Schistosoma mansoni	phosphatidylserine receptor	0.0017	0.0002	0.001
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0016	0	0.0001
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0137	0.1102
Echinococcus multilocularis	lysine specific demethylase 6a	0.0017	0.0002	0.0002
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0017	0.0002	0.002
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0016	0	0.0001
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0104	0.1773	0.1773
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.0971	0.0971
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0049	0.0663	0.5326
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0078	0.1246	0.6543
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.007	0.108	1
Schistosoma mansoni	neuropeptide receptor	0.0016	0	0.0001
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0971	0.3791
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.093	0.093
Schistosoma mansoni	hypothetical protein	0.0132	0.2345	0.916
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0363	0.0363
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.0971	0.7788
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.05	0.1955
Schistosoma mansoni	neuropeptide f receptor 76f	0.0016	0	0.0001
Plasmodium vivax	SET domain protein, putative	0.0033	0.0328	0.6541
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0663	0.1347
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0016	0	0.0001
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0122	0.2149	0.2149
Schistosoma mansoni	voltage-gated potassium channel	0.0019	0.0057	0.0223
Echinococcus granulosus	voltage gated potassium channel	0.0035	0.0385	0.0385
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0363	0.0363
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0017	0.0002	0.0002
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0328	0.1282
Schistosoma mansoni	inositol monophosphatase	0.0078	0.1246	0.4865
Schistosoma mansoni	amine GPCR	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0062	0.093	0.3631
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0016	0	0.0001
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0649	0.0649
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0256	0.0519
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0328	0.0328
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0459	0.0932
Schistosoma mansoni	hypothetical protein	0.0079	0.1261	0.4926
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1871	0.1871
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0024	0.0157	0.0157
Brugia malayi	Inositol-1	0.0078	0.1246	0.1246
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0363	0.0363
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0024	0.0157	0.0613
Schistosoma mansoni	adenoreceptor	0.0016	0	0.0001
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0017	0.0002	0.001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Leishmania major	hypothetical protein, conserved	0.0041	0.05	0.4018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0204	0.0415
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.05	0.1016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0313	0.0636
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0016	0	0.0001
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0122	0.2149	0.2149
Schistosoma mansoni	amine GPCR	0.0016	0	0.0001
Schistosoma mansoni	opsin-like receptor	0.0016	0	0.0001
Entamoeba histolytica	hypothetical protein	0.0079	0.1261	0.6718
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0062	0.093	0.093
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0385	0.0385
Schistosoma mansoni	voltage-gated potassium channel	0.0024	0.0157	0.0613
Onchocerca volvulus		0.0033	0.0328	0.0666
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0041	0.05	0.05
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0024	0.0157	0.0318
Schistosoma mansoni	myosin xvIII	0.0016	0	0.0001
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0078	0.1246	0.5
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.008	0.0641
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.05	0.1955
Loa Loa (eye worm)	jmjC domain-containing protein	0.0017	0.0002	0.0002
Schistosoma mansoni	biogenic amine receptor	0.0016	0	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0509	1	1
Schistosoma mansoni	biogenic amine receptor	0.0016	0	0.0001

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 88 %	Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance energy transfer immuno assay relative to isoproterenol	ChEMBL.	20181479
EC50 (functional)	= 76.2 nM	Agonistic activity at human beta3 adrenergic receptor expressed in CHO cells assessed as amount of cAMP released after 1 hr by fluorescence resonance energy transfer immuno assay	ChEMBL.	20181479
IC50 (binding)	> 10 uM	Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter	ChEMBL.	20181479
IC50 (binding)	> 10 uM	Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter	ChEMBL.	20181479

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: CHEMBL1085441

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1113687