TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 372.445 | Formula: C17H20N6O2S
H donors: 4 H acceptors: 3 LogP: 2.07 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1cnc(c(n1)CNC(=S)Nc1ccc2c(c1)oc(=O)[nH]2)N
InChi: 1S/C17H20N6O2S/c1-2-3-4-11-8-19-15(18)13(21-11)9-20-16(26)22-10-5-6-12-14(7-10)25-17(24)23-12/h5-8H,2-4,9H2,1H3,(H2,18,19)(H,23,24)(H2,20,22,26)
InChiKey: AJKKWLMPONETGH-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase-activated protein kinase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus multilocularis	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase-activated protein kinase 2	370 aa	303 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.0217	0.2969	0.2949
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0128	0.164	0.1616
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0633	0.0606
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0398	0.1255
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.002	0.0036	0.000000057662
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0446	0.1251
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0398	0.1025
Echinococcus multilocularis	laminin	0.0053	0.0525	0.0498
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0211	0.287	0.8042
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0147	0.0411
Echinococcus multilocularis	notch	0.002	0.0036	0.0007
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.154	1
Schistosoma mansoni	egf-like domain protein	0.0053	0.0525	0.1687
Brugia malayi	notch-like transmembrane receptor	0.002	0.0036	0.000000053332
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0184	0.1727
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0082	0.0947	0.0921
Echinococcus granulosus	lamin	0.0028	0.0147	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0139	0.039
Echinococcus granulosus	neurogenic locus protein delta	0.002	0.0036	0.0007
Echinococcus granulosus	neurogenic locus notch protein 4	0.002	0.0036	0.0007
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.1359	0.8342
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.1359	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1236	0.3465
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Echinococcus granulosus	neurogenic locus notch protein	0.002	0.0036	0.0007
Echinococcus multilocularis	GPCR, family 2	0.0082	0.0947	0.0921
Echinococcus granulosus	notch	0.002	0.0036	0.0007
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.1359	0.8342
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.1359	0.8342
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Brugia malayi	Calcium binding EGF domain containing protein	0.0053	0.0525	0.1385
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Schistosoma mansoni	aryl hydrocarbon receptor	0.0172	0.2294	0.7703
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0441	0.14
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus granulosus	slit 2 protein	0.002	0.0036	0.0007
Brugia malayi	aryl hydrocarbon receptor AHR-1	0.0112	0.1403	0.3872
Schistosoma mansoni	serine/threonine protein kinase	0.0217	0.2969	1
Brugia malayi	Pre-SET motif family protein	0.0211	0.287	0.8023
Echinococcus multilocularis	fibropellin Ia	0.002	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0275	0.0247
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0073	0.0045
Brugia malayi	bHLH-PAS transcription factor	0.0044	0.0387	0.0995
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0398	0.1255
Echinococcus multilocularis	slit 2 protein	0.002	0.0036	0.0007
Echinococcus granulosus	fibropellin Ia	0.002	0.0036	0.0007
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0053	0.0525	0.1471
Brugia malayi	PAS domain containing protein	0.0059	0.0617	0.1644
Loa Loa (eye worm)	Notch2	0.002	0.0036	0.01
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.0217	0.2969	0.2949
Echinococcus granulosus	delta-like protein 1	0.002	0.0036	0.0007
Brugia malayi	hypothetical protein	0.005	0.0482	0.1263
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0441	0.0413
Echinococcus granulosus	neural cadherin	0.002	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.154	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0947	0.3123
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Brugia malayi	map kinase activated protein kinase protein 2	0.0217	0.2969	0.8304
Schistosoma mansoni	hypothetical protein	0.0082	0.0947	0.3123
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Onchocerca volvulus	Arrow homolog	0.0053	0.0525	0.1497
Echinococcus granulosus	protein jagged 2	0.002	0.0036	0.0007
Echinococcus granulosus	neurogenic locus notch protein	0.002	0.0036	0.0007
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0053	0.0525	0.1687
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.0893	1
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0687	0.224
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0441	0.14
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0147	0.0315
Echinococcus multilocularis	musashi	0.0028	0.0147	0.0118
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.1359	0.8342
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0053	0.0525	0.5709
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0376	0.1055
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Brugia malayi	Bromodomain containing protein	0.0039	0.0311	0.0779
Echinococcus granulosus	protein jagged 1	0.002	0.0036	0.0007
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0398	0.1115
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0053	0.0525	0.1471
Echinococcus multilocularis	neurogenic locus protein delta	0.002	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Brugia malayi	Bromodomain containing protein	0.0076	0.0864	0.2345
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.0217	0.2969	0.8321
Echinococcus multilocularis	neurogenic locus notch protein	0.002	0.0036	0.0007
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0167	0.0139
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0446	0.0419
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0258	0.3568	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.0147	0.0118
Brugia malayi	Pre-SET motif family protein	0.003	0.0184	0.0419
Echinococcus multilocularis	neurogenic locus notch protein	0.002	0.0036	0.0007
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.0893	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.1471
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0147	0.0401
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0446	0.3705
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Onchocerca volvulus		0.0044	0.0395	0.1099
Brugia malayi	Latrophilin receptor protein 2	0.0082	0.0947	0.258
Echinococcus multilocularis	neurogenic locus notch protein 4	0.002	0.0036	0.0007
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0258	0.3568	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0184	0.0527
Trichomonas vaginalis	set domain proteins, putative	0.024	0.3303	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.1471
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0893	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0275	0.0247
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0893	0.2501
Echinococcus granulosus	single minded 2	0.0044	0.0387	0.0359
Brugia malayi	PHD-finger family protein	0.0025	0.0109	0.0208
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus multilocularis	fat cadherin tumor suppressor	0.002	0.0036	0.0007
Mycobacterium tuberculosis	Probable reductase	0.0109	0.1359	0.8342
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0441	0.0413
Echinococcus multilocularis	Tolloid protein 1	0.0053	0.0525	0.0498
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0446	0.1251
Schistosoma mansoni	septate junction protein	0.002	0.0036	0.0023
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0633	0.0606
Echinococcus multilocularis	lamin dm0	0.0028	0.0147	0.0118
Echinococcus granulosus	GPCR family 2	0.0082	0.0947	0.0921
Schistosoma mansoni	slit	0.002	0.0036	0.0023
Echinococcus multilocularis	lamin	0.0028	0.0147	0.0118
Onchocerca volvulus		0.003	0.0184	0.0453
Echinococcus granulosus	aryl hydrocarbon receptor	0.0128	0.164	0.1616
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0082	0.0947	0.2654
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0053	0.0525	0.1385
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.002	0.0036	0.0023
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0893	1
Echinococcus multilocularis	fibrillin 1	0.0053	0.0525	0.0498
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0446	0.3705
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0082	0.0947	0.0921
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1411	0.3954
Onchocerca volvulus		0.0028	0.0147	0.034
Loa Loa (eye worm)	hypothetical protein	0.0258	0.3568	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0035	0.0254	0.0225
Echinococcus multilocularis	protein jagged 1	0.002	0.0036	0.0007
Echinococcus multilocularis	neural cadherin	0.002	0.0036	0.0007
Echinococcus multilocularis	neurogenic locus protein delta	0.002	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.1471
Echinococcus granulosus	Tolloid protein 1	0.0053	0.0525	0.0498
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0398	0.037
Onchocerca volvulus	Neurogenic locus notch homolog	0.002	0.0036	0.000000057662
Echinococcus multilocularis	transfer RNA-Lys	0.0044	0.0387	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0147	0.0411
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0082	0.0947	0.258
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0045	0.0125
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.154	1
Schistosoma mansoni	hypothetical protein	0.0176	0.2355	0.7912
Giardia lamblia	High cysteine protein	0.002	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Brugia malayi	intermediate filament protein	0.0028	0.0147	0.0315
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0073	0.0045
Schistosoma mansoni	lamin	0.0028	0.0147	0.0401
Onchocerca volvulus		0.024	0.3303	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0893	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0147	0.0411
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0398	0.1255
Onchocerca volvulus		0.0128	0.1633	0.4888
Schistosoma mansoni	lamin	0.0028	0.0147	0.0401
Brugia malayi	glutathione reductase	0.0048	0.0446	0.1162
Onchocerca volvulus		0.0101	0.1236	0.3675
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0446	0.0419
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0073	0.0152
Schistosoma mansoni	hypothetical protein	0.0082	0.0947	0.3123
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0446	0.4792
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0398	0.037
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0184	0.0155
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0082	0.0947	0.0921
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Brugia malayi	EGF-like domain containing protein	0.002	0.0036	0.000000053332
Onchocerca volvulus		0.0028	0.0147	0.034
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0398	0.037
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Loa Loa (eye worm)	notch protein	0.002	0.0036	0.01
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1403	0.3933
Brugia malayi	latrophilin 2 splice variant baaae	0.0176	0.2355	0.6566
Brugia malayi	Fibulin-1 precursor	0.0053	0.0525	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0441	0.1235
Schistosoma mansoni	hypothetical protein	0.0082	0.0947	0.3123
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Schistosoma mansoni	hypothetical protein	0.0035	0.0254	0.0764
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0053	0.0525	0.5709
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0398	0.037
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1633	0.4576
Schistosoma mansoni	notch	0.002	0.0036	0.0023
Schistosoma mansoni	cell polarity protein	0.002	0.0036	0.0023
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0053	0.0525	0.1471
Schistosoma mansoni	laminin gamma-3 chain	0.002	0.0036	0.0023
Echinococcus granulosus	protein jagged 1	0.002	0.0036	0.0007
Brugia malayi	Thioredoxin reductase	0.0048	0.0446	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0947	0.2654
Echinococcus granulosus	lamin dm0	0.0028	0.0147	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0348	0.0974
Echinococcus multilocularis	protein jagged 2	0.002	0.0036	0.0007
Brugia malayi	hypothetical protein	0.0078	0.0893	0.2426
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0893	1
Echinococcus granulosus	protein jagged 2	0.002	0.0036	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.1471
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0258	0.3568	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0799	0.224
Schistosoma mansoni	hypothetical protein	0.0021	0.0045	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0525	0.1471
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.154	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0035	0.0254	0.0225
Echinococcus granulosus	laminin	0.0053	0.0525	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0176	0.2355	0.66
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0184	0.0527
Schistosoma mansoni	hypothetical protein	0.002	0.0036	0.0023
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0082	0.0947	0.0921
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.0893	1
Schistosoma mansoni	cellular tumor antigen P53	0.0101	0.1236	0.4107
Leishmania major	hypothetical protein, conserved	0.0078	0.0893	1
Schistosoma mansoni	single-minded	0.0059	0.0617	0.1999
Echinococcus multilocularis	tumor protein p63	0.069	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Mycobacterium ulcerans	putative regulatory protein	0.0044	0.0387	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0312	0.0874
Loa Loa (eye worm)	hypothetical protein	0.002	0.0036	0.01
Echinococcus multilocularis	protein jagged 1	0.002	0.0036	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.03 uM	Inhibition of MK2 using biotin-LCAYSRALSRQLSSGVSEIRH substrate	ChEMBL.	19423344
IC50 (functional)	= 3.8 uM	Inhibition of LPS-induced TNFalpha production in human THP1 cells after 4 hrs by ELISA	ChEMBL.	19423344

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19423344

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: CHEMBL1783711

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1520153