TDR Targets

Basic information

Technical information

TDR Targets ID: 1408146
Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl ]-N-(1-phenylethyl)acetamide
MW: 320.367 | Formula: C14H16N4O3S
H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(c1ccccc1)C)CSc1[nH]nc(c1[N+](=O)[O-])C
InChi: 1S/C14H16N4O3S/c1-9(11-6-4-3-5-7-11)15-12(19)8-22-14-13(18(20)21)10(2)16-17-14/h3-7,9H,8H2,1-2H3,(H,15,19)(H,16,17)
InChiKey: KNEBWLGOFPXWFZ-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

2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-N-(1-phenylethyl)acetamide
2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-N-(1-phenylethyl)ethanamide
MLS000580765
SMR000206151
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)thio]-N-(1-phenylethyl)acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055

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
Trichomonas vaginalis	cyclin D, putative	0.002	0.0174	0.0329
Entamoeba histolytica	protein kinase domain containing protein	0.0128	0.2208	1
Schistosoma mansoni	tyrosine kinase	0.0109	0.1847	0.1743
Trypanosoma cruzi	aurora B kinase, putative	0.0128	0.2208	0.6238
Echinococcus multilocularis	cyclin b3	0.002	0.0174	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Trichomonas vaginalis	AGC family protein kinase	0.0128	0.2208	1
Brugia malayi	hypothetical protein	0.0017	0.0126	0.0022
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0621	0.2534
Trypanosoma brucei	glucosidase, putative	0.0044	0.0621	0.1533
Loa Loa (eye worm)	hypothetical protein	0.0066	0.104	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Brugia malayi	Furin-like cysteine rich region family protein	0.0337	0.6147	0.6107
Trichomonas vaginalis	cyclins, putative	0.002	0.0174	0.0329
Echinococcus multilocularis	epidermal growth factor receptor	0.0337	0.6147	0.7629
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0128	0.2208	1
Schistosoma mansoni	tyrosine kinase	0.0182	0.3223	0.3137
Brugia malayi	Cyclin, N-terminal domain containing protein	0.002	0.0174	0.007
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0337	0.6147	0.985
Loa Loa (eye worm)	hypothetical protein	0.0342	0.6241	1
Echinococcus granulosus	epidermal growth factor receptor	0.0182	0.3223	0.4
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.351	0.4355
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0621	0.2356
Echinococcus multilocularis	roundabout 2	0.0017	0.0126	0.0157
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0128	0.2208	0.274
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1185	0.1073
Brugia malayi	MIR domain containing protein	0.0036	0.0481	0.0381
Loa Loa (eye worm)	AUR protein kinase	0.0128	0.2208	0.3537
Echinococcus multilocularis	cyclin B	0.002	0.0174	0.0215
Echinococcus multilocularis	neuroglian	0.0017	0.0126	0.0157
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Schistosoma mansoni	alpha-glucosidase	0.0169	0.2993	0.2903
Entamoeba histolytica	cyclin, putative	0.002	0.0174	0.0329
Echinococcus granulosus	cpg binding protein	0.0037	0.0489	0.0607
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0452	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0104	0.0167
Trichomonas vaginalis	cyclins, putative	0.002	0.0174	0.0329
Echinococcus multilocularis	ryanodine receptor 44f	0.0342	0.6241	0.7745
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0195	0.3476	1
Echinococcus granulosus	cyclins	0.002	0.0174	0.0215
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0128	0.2208	1
Echinococcus multilocularis	Immunoglobulin	0.0017	0.0126	0.0157
Echinococcus granulosus	defective proboscis extension response	0.0017	0.0126	0.0157
Schistosoma mansoni	stromal cell-derived factor 2 precursor-like protein	0.0036	0.0481	0.0359
Brugia malayi	serine/threonine-protein kinase 6	0.0128	0.2208	0.2126
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0017	0.0126	0.0157
Loa Loa (eye worm)	ryanodine receptor	0.0202	0.3609	0.5782
Echinococcus multilocularis	insulin receptor	0.0109	0.1847	0.2292
Leishmania major	protein kinase, putative	0.0128	0.2208	0.9587
Loa Loa (eye worm)	hypothetical protein	0.002	0.0174	0.0278
Trypanosoma cruzi	cyclin, putative	0.002	0.0174	0.0205
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0174	0.0329
Schistosoma mansoni	cpg binding protein	0.0037	0.0489	0.0368
Echinococcus granulosus	cyclins	0.002	0.0174	0.0215
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.351	0.5623
Schistosoma mansoni	alpha glucosidase	0.0044	0.0621	0.0501
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Toxoplasma gondii	aurora kinase	0.0128	0.2208	1
Echinococcus granulosus	cyclin b3	0.002	0.0174	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0621	0.2458
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0621	0.2458
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.351	0.4355
Entamoeba histolytica	protein kinase, putative	0.0128	0.2208	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.351	0.4355
Echinococcus multilocularis	ryanodine receptor 44f	0.0438	0.8059	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0021	0.0192	0.0088
Echinococcus multilocularis	cpg binding protein	0.0037	0.0489	0.0607
Echinococcus granulosus	cyclin B	0.002	0.0174	0.0215
Trichomonas vaginalis	mannosyltransferase 1, putative	0.0036	0.0481	0.1791
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0195	0.3476	1
Echinococcus multilocularis	cyclin B3 1	0.002	0.0174	0.0215
Brugia malayi	Cyclin, N-terminal domain containing protein	0.002	0.0174	0.007
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0128	0.2208	0.5
Schistosoma mansoni	tyrosine kinase	0.0178	0.3157	0.307
Brugia malayi	Fibronectin type III domain containing protein	0.0017	0.0126	0.0022
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0621	0.2458
Trichomonas vaginalis	cyclin B3, putative	0.002	0.0174	0.0329
Entamoeba histolytica	protein kinase , putative	0.0128	0.2208	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0109	0.1847	0.2292
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0621	0.0771
Echinococcus granulosus	cyclin B3 1	0.002	0.0174	0.0215
Loa Loa (eye worm)	hypothetical protein	0.002	0.0174	0.0278
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0109	0.1847	0.2292
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.002	0.0174	0.0316
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0066	0.104	0.0926
Giardia lamblia	Aurora kinase	0.0128	0.2208	1
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0062	0.0975	0.086
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Leishmania major	cyclin	0.002	0.0174	0.0316
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0621	0.1533
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0621	0.2458
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.002	0.0174	0.0215
Echinococcus multilocularis	stromal cell derived factor 2	0.0036	0.0481	0.0597
Schistosoma mansoni	tyrosine kinase	0.0182	0.3223	0.3137
Entamoeba histolytica	MIR domain protein	0.0036	0.0481	0.1791
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1037	0.4491
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0621	0.0995
Trichomonas vaginalis	cyclins, putative	0.002	0.0174	0.0329
Entamoeba histolytica	protein kinase, putative	0.0128	0.2208	1
Entamoeba histolytica	cyclin, putative	0.002	0.0174	0.0329
Trichomonas vaginalis	cyclin B, putative	0.002	0.0174	0.0329
Echinococcus granulosus	cyclins	0.002	0.0174	0.0215
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0165	0.2917	0.2826
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0128	0.2208	1
Echinococcus granulosus	ryanodine receptor 44f	0.0342	0.6241	0.7745
Echinococcus multilocularis	Immunoglobulin	0.0017	0.0126	0.0157
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0621	0.2458
Trichomonas vaginalis	AGC family protein kinase	0.0128	0.2208	1
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Onchocerca volvulus		0.0036	0.0481	0.2047
Loa Loa (eye worm)	MIR domain-containing protein	0.0036	0.0481	0.0771
Trypanosoma brucei	mitotic cyclin 6	0.002	0.0174	0.0205
Schistosoma mansoni	tyrosine kinase	0.0178	0.3157	0.307
Trichomonas vaginalis	AGC family protein kinase	0.0128	0.2208	1
Trichomonas vaginalis	cyclin D, putative	0.002	0.0174	0.0329
Echinococcus granulosus	stromal cell derived factor 2	0.0036	0.0481	0.0597
Echinococcus granulosus	cyclins	0.002	0.0174	0.0215
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0621	0.0522
Trichomonas vaginalis	cyclin B, putative	0.002	0.0174	0.0329
Echinococcus granulosus	aurora kinase A	0.0128	0.2208	0.274
Schistosoma mansoni	cpg binding protein	0.0037	0.0489	0.0368
Echinococcus granulosus	Immunoglobulin	0.0017	0.0126	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Trypanosoma cruzi	cyclin, putative	0.002	0.0174	0.0205
Trichomonas vaginalis	cyclin B, putative	0.002	0.0174	0.0329
Echinococcus granulosus	cyclins	0.002	0.0174	0.0215
Brugia malayi	cation channel family protein	0.0231	0.4159	0.4098
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0182	0.3223	0.4
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0621	0.2458
Onchocerca volvulus		0.002	0.0174	0.0376
Loa Loa (eye worm)	AUR protein kinase	0.0128	0.2208	0.3537
Echinococcus granulosus	twitchin	0.0019	0.0165	0.0205
Schistosoma mansoni	serine/threonine protein kinase	0.0128	0.2208	0.2108
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1659	0.2658
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0621	0.2458
Trypanosoma brucei	aurora B kinase	0.0128	0.2208	0.6238
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Echinococcus multilocularis	epidermal growth factor receptor	0.0182	0.3223	0.4
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0621	0.2458
Trypanosoma cruzi	cyclin 6, putative	0.002	0.0174	0.0205
Loa Loa (eye worm)	ryanodine receptor	0.0128	0.2205	0.3534
Onchocerca volvulus		0.0114	0.1944	1
Schistosoma mansoni	tyrosine kinase	0.0109	0.1847	0.1743
Trichomonas vaginalis	AGC family protein kinase	0.0128	0.2208	1
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Brugia malayi	serine/threonine kinase 12	0.0128	0.2208	0.2126
Schistosoma mansoni	cpg binding protein	0.0035	0.0452	0.033
Trichomonas vaginalis	cyclins, putative	0.002	0.0174	0.0329
Trichomonas vaginalis	cyclin A, putative	0.002	0.0174	0.0329
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0021	0.0192	0.0307
Echinococcus multilocularis	cyclins	0.002	0.0174	0.0215
Loa Loa (eye worm)	AUR protein kinase	0.0128	0.2208	0.3537
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0128	0.2208	1
Leishmania major	hypothetical protein, conserved	0.0133	0.2298	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0621	0.0771
Trichomonas vaginalis	cyclin B, putative	0.002	0.0174	0.0329
Brugia malayi	Cyclin, N-terminal domain containing protein	0.002	0.0174	0.007
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0621	0.2458
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.351	0.3441
Echinococcus granulosus	roundabout 2	0.0017	0.0126	0.0157
Schistosoma mansoni	tyrosine kinase	0.0178	0.3157	0.307
Echinococcus granulosus	ryanodine receptor 44f	0.0438	0.8059	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0621	0.2458
Entamoeba histolytica	cyclin family protein	0.002	0.0174	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Schistosoma mansoni	cyclin B	0.002	0.0174	0.0048
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0452	0.0724
Loa Loa (eye worm)	TK/INSR protein kinase	0.0109	0.1847	0.2959
Schistosoma mansoni	alpha-glucosidase	0.0169	0.2993	0.2903
Onchocerca volvulus		0.0035	0.0452	0.1889
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Schistosoma mansoni	protein kinase	0.0128	0.2208	0.2108
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0017	0.0126	0.0157
Schistosoma mansoni	cyclin B3	0.002	0.0174	0.0048
Schistosoma mansoni	tyrosine kinase	0.0337	0.6147	0.6098
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0126	0.0202
Trypanosoma cruzi	CYC2-like cyclin, putative	0.002	0.0174	0.0205
Entamoeba histolytica	cyclin family protein	0.002	0.0174	0.0329
Trichomonas vaginalis	cyclin B, putative	0.002	0.0174	0.0329
Echinococcus granulosus	epidermal growth factor receptor	0.0337	0.6147	0.7629
Brugia malayi	serine/threonine protein kinase 6	0.0128	0.2208	0.2126
Echinococcus granulosus	insulin receptor	0.0109	0.1847	0.2292
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1739	0.2786
Schistosoma mansoni	hypothetical protein	0.0133	0.2314	0.2216
Echinococcus multilocularis	aurora kinase A	0.0128	0.2208	0.274
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0017	0.0126	0.0022
Schistosoma mansoni	cyclins	0.002	0.0174	0.0048
Echinococcus multilocularis		0.0104	0.1754	0.2176
Loa Loa (eye worm)	cyclin domain-containing protein	0.002	0.0174	0.0278
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0128	0.2208	0.274
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0621	0.2458
Schistosoma mansoni	vesicular amine transporter	0.0021	0.0191	0.0066
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.002	0.0174	0.0215
Echinococcus granulosus	neuroglian	0.0017	0.0126	0.0157
Brugia malayi	Protein kinase domain containing protein	0.0109	0.1847	0.1761
Trichomonas vaginalis	cyclins, putative	0.002	0.0174	0.0329
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0621	0.1533

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	3.6964 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1563296

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1408146