TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.042 | Formula: C28H35ClN2O4
H donors: 0 H acceptors: 0 LogP: 5.99 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OCc2ccc(cc2)CCN2CCN(CC2)c2cccc(c2)OC)cc(c1)OC.Cl
InChi: 1S/C28H34N2O4.ClH/c1-31-25-6-4-5-24(17-25)30-15-13-29(14-16-30)12-11-22-7-9-23(10-8-22)21-34-28-19-26(32-2)18-27(20-28)33-3;/h4-10,17-20H,11-16,21H2,1-3H3;1H
InChiKey: JWRMYVHWGVFEEC-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

No curated genes were found associated with this compound

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
Trypanosoma cruzi	target of rapamycin kinase 3	0.0611	0.105	0.1341
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0656	0.0929
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0444	0.0657	0.0931
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.1087	0.2169	0.2953
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0311	0.0343	0.1093
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0216	0.0119	0.0031
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0449	0.0668	0.0584
Loa Loa (eye worm)	phosphatidylinositol 3	0.3778	0.8499	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.3166	0.7058	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0449	0.0668	0.5
Loa Loa (eye worm)	alpha-L-fucosidase	0.2024	0.4374	0.5146
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.3166	0.7058	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.3031	0.6742	0.9544
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0222	0.0133	0.0188
Leishmania major	glycosyl hydrolase-like protein	0.0444	0.0657	0.1869
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1087	0.2169	0.2572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0482	0.0745	0.1056
Loa Loa (eye worm)	phosphatidylinositol 3	0.0311	0.0343	0.0404
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0444	0.0657	0.0775
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1087	0.2169	0.2169
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0311	0.0343	0.0486
Entamoeba histolytica	hypothetical protein	0.2528	0.5558	0.7837
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0449	0.0668	0.0946
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.1048	0.1485
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0744	0.1362	0.1791
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.3166	0.7058	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0657	0.0931
Trichomonas vaginalis	conserved hypothetical protein	0.023	0.0152	0.0216
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0744	0.1362	0.1791
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0449	0.0668	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0656	0.0929
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0744	0.1362	0.6064
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.2065	0.447	0.442
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.3166	0.7058	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0744	0.1362	0.1929
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0222	0.0133	0.0228
Echinococcus multilocularis	serine protein kinase ATM	0.0216	0.0119	0.0031
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0888	0.1701	0.241
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0222	0.0133	0.0188
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0216	0.0119	0.0119
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0449	0.0668	0.0791
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.3166	0.7058	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.2187	0.4757	0.674
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0449	0.0668	0.0668
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0444	0.0657	0.0775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0311	0.0343	0.0486
Leishmania major	alpha glucosidase II subunit, putative	0.1025	0.2023	1
Mycobacterium ulcerans	alpha-L-fucosidase	0.2786	0.6165	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0744	0.1362	0.1615
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0222	0.0133	0.002
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0449	0.0668	0.0946
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.2187	0.4757	0.674
Echinococcus multilocularis	neutral alpha glucosidase AB	0.1025	0.2023	0.1951
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0773	0.1429	0.4149
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0449	0.0668	0.0584
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0311	0.0343	0.0407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.1048	0.1485
Schistosoma mansoni	hypothetical protein	0.0285	0.0282	0.0282
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0216	0.0119	0.0169
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0656	0.0929
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0888	0.1701	0.241
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.094	0.1823	0.2456
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.1025	0.2023	0.2866
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.3749	0.843	0.9919
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0311	0.0343	0.0323
Trichomonas vaginalis	alpha-glucosidase, putative	0.0444	0.0657	0.0931
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1087	0.2169	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.3749	0.843	0.8416
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.2786	0.6165	0.613
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0478	0.0736	0.1043
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0611	0.105	0.454
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1087	0.2169	0.2953
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0216	0.0119	0.0119
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.1025	0.2023	0.238
Trichomonas vaginalis	alpha-glucosidase, putative	0.0444	0.0657	0.0931
Trypanosoma brucei	glucosidase, putative	0.1025	0.2023	0.929
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.1087	0.2169	0.3072
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0744	0.1362	0.1791
Loa Loa (eye worm)	phosphatidylinositol 3	0.0952	0.1852	0.2179
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0744	0.1362	0.1284
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0222	0.0133	0.0158
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0216	0.0119	0.0141
Schistosoma mansoni	alpha-glucosidase	0.3253	0.7264	0.7264
Echinococcus granulosus	glycogen debranching enzyme	0.0222	0.0133	0.0045
Schistosoma mansoni	alpha glucosidase	0.1025	0.2023	0.2023
Loa Loa (eye worm)	hypothetical protein	0.023	0.0152	0.0179
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0744	0.1362	0.1929
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0203	0.0089	0.0089
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.2786	0.6165	0.613
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0449	0.0668	0.2993
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0482	0.0745	0.1056
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0311	0.0343	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0478	0.0736	0.1043
Trichomonas vaginalis	alpha-glucosidase, putative	0.0444	0.0657	0.0931
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0744	0.1362	0.6064
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0611	0.105	0.4205
Brugia malayi	Glycosyl hydrolases family 31 protein	0.1025	0.2023	0.24
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0363	0.0466	0.1692
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0216	0.0119	0.0031
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0449	0.0668	0.0791
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0216	0.0119	0.0141
Trichomonas vaginalis	alpha-glucosidase, putative	0.1025	0.2023	0.2866
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.3166	0.7058	0.8373
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1427	0.2969	0.4107
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0216	0.0119	0.0169
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0744	0.1362	0.1791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0311	0.0343	0.0486
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0449	0.0668	0.1932
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0311	0.0343	0.0486
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.1549	0.3257	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0223	0.0137	0.0195
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0449	0.0668	0.0791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0444	0.0657	0.078
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0449	0.0668	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0222	0.0133	0.0157
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0223	0.0137	0.0162
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2065	0.447	0.5302
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.3166	0.7058	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.4416	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.1048	0.1485
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0744	0.1362	0.1929
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0223	0.0137	0.0163
Giardia lamblia	GTOR	0.0744	0.1362	0.3934
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0311	0.0343	0.0323
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0649	0.1138	0.1612
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.1048	0.1485
Trichomonas vaginalis	alpha-glucosidase, putative	0.1025	0.2023	0.2866
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0311	0.0343	0.1093
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0449	0.0668	0.0792
Echinococcus granulosus	serine protein kinase ATM	0.0216	0.0119	0.0031
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0449	0.0668	0.2677
Trichomonas vaginalis	alpha-glucosidase, putative	0.1025	0.2023	0.2866
Loa Loa (eye worm)	phosphatidylinositol 3	0.0744	0.1362	0.1602
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0444	0.0657	0.0775
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.2528	0.5558	0.7837
Trypanosoma cruzi	hypothetical protein, conserved	0.1025	0.2023	0.2744
Echinococcus multilocularis	Zinc finger, PHD finger	0.0449	0.0668	0.0584
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0267	0.0241	0.0341
Schistosoma mansoni	alpha-glucosidase	0.3253	0.7264	0.7264
Trichomonas vaginalis	sucrase-isomaltase, putative	0.094	0.1823	0.2583
Echinococcus multilocularis	lysosomal alpha glucosidase	0.3749	0.843	0.8416
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0119	0.014
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0744	0.1362	0.1362
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0449	0.0668	0.0791
Trypanosoma cruzi	hypothetical protein, conserved	0.1025	0.2023	0.2744
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1087	0.2169	0.3072
Schistosoma mansoni	alpha-l-fucosidase	0.2024	0.4374	0.4374
Echinococcus granulosus	lysosomal alpha glucosidase	0.3749	0.843	0.8416
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.2065	0.447	0.442
Trichomonas vaginalis	alpha-glucosidase, putative	0.1025	0.2023	0.2866
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0577	0.0969	0.4551
Toxoplasma gondii	FATC domain-containing protein	0.0216	0.0119	0.0157
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.1025	0.2023	0.2744
Onchocerca volvulus		0.2715	0.5999	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0311	0.0343	0.0486
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0657	0.0931
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0952	0.1852	0.2497
Echinococcus multilocularis	glycogen debranching enzyme	0.0222	0.0133	0.0045
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0311	0.0343	0.0257
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0449	0.0668	0.1932
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1087	0.2169	0.2953
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0515	0.0824	0.1168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0216	0.0119	0.0169
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.1087	0.2169	0.3072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.1048	0.1485
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0401	0.0554	0.2122
Loa Loa (eye worm)	hypothetical protein	0.1101	0.22	0.2589
Trichomonas vaginalis	alpha-glucosidase, putative	0.0444	0.0657	0.0931
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.1025	0.2023	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0482	0.0745	0.1056
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0449	0.0668	0.0946
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0203	0.0089	0.0089
Trichomonas vaginalis	alpha-glucosidase, putative	0.1025	0.2023	0.2866
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0444	0.0657	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0444	0.0657	0.0773
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.1251	0.2553	0.3029
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0203	0.0089	0.0089
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.4416	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0657	0.0931
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0744	0.1362	0.6064
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0744	0.1362	0.1284
Trichomonas vaginalis	alpha-glucosidase, putative	0.0444	0.0657	0.0931
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0449	0.0668	0.0584
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.1025	0.2023	0.2866
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0449	0.0668	0.2993
Trichomonas vaginalis	maltase-glucoamylase, putative	0.1025	0.2023	0.2866
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.023	0.0152	0.0328
Echinococcus granulosus	neutral alpha glucosidase AB	0.1025	0.2023	0.1951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.053	0.0857	0.1215
Loa Loa (eye worm)	hypothetical protein	0.2065	0.447	0.5259
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0744	0.1362	0.6064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Brugia malayi	Alpha-L-fucosidase family protein	0.2024	0.4374	0.5188
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0444	0.0657	0.0931
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0203	0.0089	0.0089
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0449	0.0668	0.0786
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0444	0.0657	0.2626
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0311	0.0343	0.0257
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0444	0.0657	0.0931
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0577	0.0969	0.1373
Brugia malayi	Glycosyl hydrolases family 31 protein	0.3749	0.843	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 16.92 uM	Cytotoxicity against human DU145 cells assessed as inhibition of cell viability after 24 hrs by CCK-8 assay	ChEMBL.	25488843
IC50 (functional)	= 20.04 uM	Cytotoxicity against human LNCAP cells assessed as inhibition of cell viability after 24 hrs by CCK-8 assay	ChEMBL.	25488843

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25488843

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: CHEMBL3354488

Bibliographic References

No literature references available for this target.

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Detailed information for compound 946946