TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 601.095 | Formula: C25H41ClN8O7
H donors: 4 H acceptors: 7 LogP: 0.63 Rotable bonds: 21
Rule of 5 violations (Lipinski): 2
SMILES: O=CNCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O
InChi: 1S/C25H41ClN8O7/c1-16(2)20(21(27)36)30-23(38)18-8-5-12-32(18)24(39)17(7-3-4-11-28-15-35)29-22(37)19-9-6-13-33(19)25(40)34(31-41)14-10-26/h15-20H,3-14H2,1-2H3,(H2,27,36)(H,28,35)(H,29,37)(H,30,38)/t17-,18-,19-,20-/m0/s1
InChiKey: UYPFAWKFCWHLQX-MUGJNUQGSA-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
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Schistosoma mansoni	histone deacetylase 1 2 3	0.0788	0.0926	0.0917
Onchocerca volvulus		0.158	0.2515	0.4108
Brugia malayi	Protein kinase domain containing protein	0.047	0.0286	0.0281
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.158	0.2515	0.2546
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0906	0.1162	0.117
Brugia malayi	hypothetical protein	0.0674	0.0697	0.0698
Onchocerca volvulus		0.0906	0.1162	0.1888
Brugia malayi	Protein kinase c protein 2	0.1336	0.2025	0.2047
Toxoplasma gondii	histone deacetylase HDAC3	0.2315	0.399	1
Echinococcus granulosus	protein kinase c epsilon type	0.0832	0.1014	0.1021
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0338	0.0022	0.0012
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0338	0.0022	0.0012
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0832	0.1014	0.1021
Schistosoma mansoni	serine/threonine protein kinase	0.1795	0.2947	0.294
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0788	0.0926	0.1502
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0874	0.1098	0.2735
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0781	0.091	0.0915
Trypanosoma brucei	rac serine-threonine kinase, putative	0.047	0.0286	0.0392
Echinococcus multilocularis	histone deacetylase 6	0.1206	0.1763	0.1782
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1
Loa Loa (eye worm)	hypothetical protein	0.0674	0.0697	0.0698
Entamoeba histolytica	protein kinase, putative	0.047	0.0286	0.0694
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0363	0.0071	0.0063
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0342	0.003	0.0021
Loa Loa (eye worm)	histone deacetylase 11	0.0788	0.0926	0.0931
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0781	0.091	0.0915
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0807	0.0963	0.2149
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0425	0.0197	0.0187
Schistosoma mansoni	serine/threonine protein kinase	0.0342	0.003	0.002
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0817	0.0983	0.0989
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0963	0.1276	0.1287
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0771	0.0891	0.196
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0771	0.0891	0.196
Echinococcus multilocularis	serine:threonine protein kinase 38	0.047	0.0286	0.0281
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0807	0.0963	0.0969
Echinococcus multilocularis		0.0807	0.0963	0.0969
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1052	0.1455	0.1447
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Schistosoma mansoni	serine/threonine protein kinase	0.0342	0.003	0.002
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0906	0.1162	0.117
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0807	0.0963	0.2149
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0977	0.1305	0.3254
Loa Loa (eye worm)	hypothetical protein	0.0674	0.0697	0.0698
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.063	0.0608	0.1226
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.158	0.2515	0.2546
Brugia malayi	LBP / BPI / CETP family, N-terminal domain containing protein	0.158	0.2515	0.2546
Loa Loa (eye worm)	AGC/NDR protein kinase	0.047	0.0286	0.0281
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0338	0.0022	0.0012
Echinococcus granulosus	histone deacetylase 3	0.2315	0.399	0.4044
Echinococcus granulosus	histone deacetylase 8	0.0788	0.0926	0.0931
Schistosoma mansoni	histone deacetylase 4 5	0.1206	0.1763	0.1755
Loa Loa (eye worm)	hypothetical protein	0.158	0.2515	0.2546
Onchocerca volvulus		0.158	0.2515	0.4108
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0342	0.003	0.0021
Brugia malayi	protein kinase C II.	0.0832	0.1014	0.1021
Schistosoma mansoni	unc-13 (munc13)	0.0363	0.0071	0.0062
Schistosoma mansoni	serine/threonine protein kinase	0.047	0.0286	0.0276
Echinococcus multilocularis	unc 13 (munc13)	0.0363	0.0071	0.0063
Echinococcus multilocularis	histone deacetylase 3	0.2315	0.399	0.4044
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1
Toxoplasma gondii	AGC kinase	0.047	0.0286	0.0694
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.047	0.0286	0.0281
Schistosoma mansoni	histone deacetylase 4 5	0.1206	0.1763	0.1755
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0781	0.091	0.0901
Toxoplasma gondii	phosphatidylinositol 4-kinase	0.0572	0.0491	0.1209
Plasmodium falciparum	histone deacetylase, putative	0.1206	0.1763	0.2643
Trypanosoma brucei	histone deacetylase 3	0.1206	0.1763	0.4224
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1052	0.1455	0.1468
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0807	0.0963	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0906	0.1162	0.117
Trypanosoma brucei	histone deacetylase, putative	0.1206	0.1763	0.4224
Leishmania major	histone deacetylase, putative	0.2315	0.399	1
Leishmania major	histone deacetylase, putative	0.2315	0.399	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0817	0.0983	0.0989
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0771	0.0891	0.0895
Echinococcus multilocularis	serine:threonine protein kinase N2	0.047	0.0286	0.0281
Plasmodium vivax	histone deacetylase 2, putative	0.1206	0.1763	0.2733
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0771	0.0891	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0963	0.1276	0.1287
Toxoplasma gondii	histone deacetylase HDAC4	0.0788	0.0926	0.2302
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0781	0.091	0.0915
Trichomonas vaginalis	conserved hypothetical protein	0.0674	0.0697	0.1457
Schistosoma mansoni	serine/threonine kinase	0.047	0.0286	0.0276
Loa Loa (eye worm)	hypothetical protein	0.1295	0.1943	0.1964
Schistosoma mansoni	atypical protein kinase C	0.0802	0.0953	0.0944
Echinococcus multilocularis	voltage dependent calcium channel	0.0781	0.091	0.0915
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.5234	0.985	1
Loa Loa (eye worm)	hypothetical protein	0.093	0.121	0.122
Schistosoma mansoni	serine/threonine protein kinase	0.047	0.0286	0.0276
Onchocerca volvulus		0.158	0.2515	0.4108
Echinococcus granulosus	raf serine:threonine protein kinase	0.0417	0.018	0.0173
Brugia malayi	Protein kinase domain containing protein	0.5234	0.985	1
Loa Loa (eye worm)	hypothetical protein	0.0781	0.091	0.0915
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0394	0.0135	0.0314
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0394	0.0135	0.0127
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2315	0.399	1
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0417	0.018	0.0173
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2315	0.399	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0963	0.1276	0.1287
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0781	0.091	0.0915
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0807	0.0963	0.2415
Onchocerca volvulus		0.0338	0.0022	0.0019
Toxoplasma gondii	1-phosphatidylinositol 4-kinase	0.0572	0.0491	0.1209
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.047	0.0286	0.0281
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0781	0.091	0.0915
Brugia malayi	protein kinase C3,putative	0.0342	0.003	0.0021
Brugia malayi	Protein kinase domain containing protein	0.0342	0.003	0.0021
Onchocerca volvulus		0.337	0.6109	1
Loa Loa (eye worm)	hypothetical protein	0.0906	0.1162	0.117
Entamoeba histolytica	hypothetical protein	0.0679	0.0706	0.1749
Loa Loa (eye worm)	hypothetical protein	0.0788	0.0926	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0906	0.1162	0.117
Echinococcus multilocularis	protein kinase c epsilon type	0.0832	0.1014	0.1021
Onchocerca volvulus		0.0906	0.1162	0.1888
Trypanosoma cruzi	histone deacetylase, putative	0.0788	0.0926	0.2052
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0338	0.0022	0.0012
Brugia malayi	Hr1 repeat family protein	0.047	0.0286	0.0281
Trypanosoma brucei	histone deacetylase 2	0.0788	0.0926	0.2052
Echinococcus granulosus	NDR protein kinase	0.047	0.0286	0.0281
Echinococcus granulosus	histone deacetylase 1	0.2315	0.399	0.4044
Entamoeba histolytica	protein kinase, putative	0.047	0.0286	0.0694
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0771	0.0891	0.196
Loa Loa (eye worm)	hypothetical protein	0.0338	0.0022	0.0012
Brugia malayi	Histone deacetylase family protein	0.1206	0.1763	0.1782
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0363	0.0071	0.0063
Trypanosoma cruzi	histone deacetylase, putative	0.1206	0.1763	0.4224
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.5234	0.985	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.047	0.0286	0.0281
Echinococcus multilocularis	histone deacetylase 8	0.0788	0.0926	0.0931
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.1004	0.1358	0.137
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0338	0.0022	0.0012
Echinococcus multilocularis	serine:threonine protein kinase N2	0.047	0.0286	0.0281
Echinococcus granulosus	Protein kinase C brain isozyme	0.1795	0.2947	0.2985
Echinococcus granulosus	histone deacetylase 6	0.1206	0.1763	0.1782
Schistosoma mansoni	protein kinase C	0.0363	0.0071	0.0062
Loa Loa (eye worm)	calcium channel	0.0781	0.091	0.0915
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Echinococcus multilocularis	histone deacetylase 6	0.1297	0.1947	0.1968
Echinococcus multilocularis	voltage dependent calcium channel	0.0781	0.091	0.0915
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Schistosoma mansoni	histone deacetylase	0.2315	0.399	0.3984
Entamoeba histolytica	protein kinase, putative	0.047	0.0286	0.0694
Schistosoma mansoni	histone deacetylase hda2	0.0788	0.0926	0.0917
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0781	0.091	0.0915
Onchocerca volvulus		0.158	0.2515	0.4108
Onchocerca volvulus		0.0674	0.0697	0.1126
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.047	0.0286	0.0281
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Echinococcus granulosus	serine:threonine protein kinase N2	0.047	0.0286	0.0281
Toxoplasma gondii	histone deacetylase HDAC1	0.1206	0.1763	0.4406
Loa Loa (eye worm)	hypothetical protein	0.2315	0.399	0.4044
Schistosoma mansoni	protein kinase C mu	0.0342	0.003	0.002
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0536	0.0419	0.1027
Echinococcus granulosus	histone deacetylase 6	0.1297	0.1947	0.1968
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0781	0.091	0.0915
Brugia malayi	hypothetical protein	0.0906	0.1162	0.117
Plasmodium falciparum	histone deacetylase 1	0.2315	0.399	1
Brugia malayi	C1-like domain containing protein	0.0342	0.003	0.0021
Brugia malayi	hypothetical protein	0.0906	0.1162	0.117
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0906	0.1162	0.117
Onchocerca volvulus		0.158	0.2515	0.4108
Plasmodium vivax	histone deacetylase 1, putative	0.2315	0.399	1
Loa Loa (eye worm)	hypothetical protein	0.5224	0.983	0.9979
Brugia malayi	Protein kinase domain containing protein	0.047	0.0286	0.0281
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0342	0.003	0.0021
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.047	0.0286	0.0281
Loa Loa (eye worm)	hypothetical protein	0.337	0.6109	0.6197
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0807	0.0963	0.2149
Brugia malayi	Histone deacetylase family protein	0.1206	0.1763	0.1782
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0342	0.003	0.0021
Echinococcus granulosus	histone deacetylase 6	0.1206	0.1763	0.1782
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0679	0.0706	0.1749
Brugia malayi	p70 ribosomal S6 kinase beta	0.047	0.0286	0.0281
Schistosoma mansoni	voltage-gated cation channel	0.0781	0.091	0.0901
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0538	0.0423	0.1061
Loa Loa (eye worm)	hypothetical protein	0.337	0.6109	0.6197
Loa Loa (eye worm)	hypothetical protein	0.0906	0.1162	0.117
Trypanosoma cruzi	histone deacetylase, putative	0.1206	0.1763	0.4224
Loa Loa (eye worm)	hypothetical protein	0.0906	0.1162	0.117
Loa Loa (eye worm)	phosphatidylinositol 3	0.0807	0.0963	0.0969
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.093	0.121	0.122
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0338	0.0022	0.0012
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.093	0.121	0.1201
Schistosoma mansoni	serine/threonine protein kinase	0.047	0.0286	0.0276
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.093	0.121	0.122
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0338	0.0022	0.0012
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0771	0.0891	0.196
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.047	0.0286	0.0281
Trypanosoma cruzi	histone deacetylase, putative	0.1206	0.1763	0.4224
Schistosoma mansoni	serine/threonine protein kinase	0.0417	0.018	0.017
Toxoplasma gondii	histone deacetylase HDAC2	0.2315	0.399	1
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0817	0.0983	0.0989
Brugia malayi	Protein kinase domain containing protein	0.047	0.0286	0.0281
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0807	0.0963	0.0969
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.047	0.0286	0.0281
Echinococcus multilocularis	serine threonine protein kinase	0.1463	0.2281	0.2308
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.047	0.0286	0.0281
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0535	0.0418	0.0415
Brugia malayi	histone deacetylase 3 (HD3)	0.2315	0.399	0.4044
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.047	0.0286	0.0281
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.093	0.121	0.3033
Brugia malayi	Histone deacetylase 1	0.2315	0.399	0.4044
Leishmania major	histone deacetylase, putative	0.1206	0.1763	0.2643
Loa Loa (eye worm)	histone deacetylase	0.1206	0.1763	0.1782
Echinococcus multilocularis	histone deacetylase 1	0.2315	0.399	0.4044
Onchocerca volvulus		0.0363	0.0071	0.0101
Leishmania major	histone deacetylase, putative	0.1206	0.1763	0.2643
Trypanosoma brucei	histone deacetylase 4	0.1206	0.1763	0.4224
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.5234	0.985	1
Echinococcus multilocularis	histone deacetylase 7	0.1206	0.1763	0.1782
Echinococcus multilocularis	histone deacetylase	0.1206	0.1763	0.1782
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.093	0.121	0.122
Echinococcus multilocularis	protein kinase c iota type	0.0802	0.0953	0.0958
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0781	0.091	0.0901
Onchocerca volvulus		0.0338	0.0022	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0363	0.0071	0.0063
Echinococcus granulosus	voltage dependent calcium channel	0.0781	0.091	0.0915
Loa Loa (eye worm)	phosphatidylinositol 3	0.096	0.127	0.1281
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.046	0.0266	0.0339
Plasmodium vivax	histone deacetylase, putative	0.1206	0.1763	0.2733
Schistosoma mansoni	serine/threonine protein kinase	0.0832	0.1014	0.1005
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2315	0.399	1
Brugia malayi	LBP/BPI	0.0674	0.0697	0.0698
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.093	0.121	0.122
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0807	0.0963	0.0954
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0443	0.0233	0.0562
Loa Loa (eye worm)	hypothetical protein	0.3702	0.6775	0.6875
Schistosoma mansoni	histone deacetylase hda2	0.1297	0.1947	0.1939
Schistosoma mansoni	serine/threonine protein kinase	0.047	0.0286	0.0276
Trypanosoma cruzi	histone deacetylase 1, putative	0.2315	0.399	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0338	0.0022	0.0012
Loa Loa (eye worm)	hypothetical protein	0.5224	0.983	0.9979
Echinococcus granulosus	protein kinase c iota type	0.0802	0.0953	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0509	0.0364	0.036
Trypanosoma cruzi	histone deacetylase 1, putative	0.2315	0.399	1
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0342	0.003	0.0021
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.047	0.0286	0.0281
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Loa Loa (eye worm)	histone deacetylase 1	0.2315	0.399	0.4044
Onchocerca volvulus		0.158	0.2515	0.4108
Entamoeba histolytica	histone deacetylase, putative	0.2315	0.399	1
Echinococcus granulosus	histone deacetylase 7	0.1206	0.1763	0.1782
Brugia malayi	histone deacetylase 1 (HD1)	0.2315	0.399	0.4044
Trypanosoma cruzi	histone deacetylase, putative	0.0788	0.0926	0.2052
Echinococcus multilocularis	histone deacetylase 6	0.1206	0.1763	0.1782
Onchocerca volvulus		0.158	0.2515	0.4108
Onchocerca volvulus		0.158	0.2515	0.4108
Trypanosoma brucei	histone deacetylase 1	0.2315	0.399	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1052	0.1455	0.1468
Schistosoma mansoni	unc-13 (munc13)	0.0363	0.0071	0.0062
Toxoplasma gondii	histone deacetylase HDAC5	0.0788	0.0926	0.2302
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0338	0.0022	0.0012
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0771	0.0891	0.196
Loa Loa (eye worm)	histone deacetylase 7A	0.1206	0.1763	0.1782
Trichomonas vaginalis	AGC family protein kinase	0.047	0.0286	0.0392
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.047	0.0286	0.0281
Giardia lamblia	Histone deacetylase	0.2315	0.399	1
Loa Loa (eye worm)	hypothetical protein	0.337	0.6109	0.6197
Echinococcus granulosus	RNA directed DNA polymerase	0.0963	0.1276	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0535	0.0418	0.0415
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0781	0.091	0.0915
Loa Loa (eye worm)	histone deacetylase 3	0.2315	0.399	0.4044
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0535	0.0418	0.0415
Brugia malayi	histone deacetylase 11	0.0788	0.0926	0.0931
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1795	0.2947	0.2985
Echinococcus granulosus	protein kinase C gamma type	0.1463	0.2281	0.2308
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.063	0.0608	0.1226
Brugia malayi	LBP / BPI / CETP family, C-terminal domain containing protein	0.0906	0.1162	0.117
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.158	0.2515	0.2546
Echinococcus granulosus	histone deacetylase	0.1206	0.1763	0.1782
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0566	0.048	0.0477
Loa Loa (eye worm)	AGC/AKT protein kinase	0.047	0.0286	0.0281
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0394	0.0135	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0674	0.0697	0.0698
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0817	0.0983	0.0989
Loa Loa (eye worm)	hypothetical protein	0.384	0.7051	0.7156
Plasmodium falciparum	histone deacetylase 2	0.1206	0.1763	0.2643
Entamoeba histolytica	protein kinase, putative	0.047	0.0286	0.0694
Schistosoma mansoni	histone deacetylase	0.2315	0.399	0.3984
Schistosoma mansoni	serine/threonine protein kinase	0.1795	0.2947	0.294
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0338	0.0022	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0674	0.0697	0.0698
Loa Loa (eye worm)	LBP/BPI/CETP family domain-containing protein	0.0906	0.1162	0.117
Echinococcus granulosus	unc 13 munc13	0.0363	0.0071	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0417	0.0181	0.0173
Trichomonas vaginalis	histone deacetylase, putative	0.2315	0.399	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ILS (functional)	= 40 %	Antitumor activity against L1210 Leukemia in mice at a dose of 50 mg/kg expressed as percent of increase in life span after day 60s was determined.	ChEMBL.	3820230
ILS (functional)	= 80 %	Antitumor activity against L1210 Leukemia in mice at a dose of 100 mg/kg expressed as percent of increase in life span after day 60s was determined.	ChEMBL.	3820230
ILS (functional)	= 80 %	Antitumor activity against L1210 Leukemia in mice at a dose of 200 mg/kg expressed as percent of increase in life span after day 60s was determined.	ChEMBL.	3820230
LD50 (ADMET)	= 250 mg kg-1	Antitumor activity against L1210 Leukemia in mice expressed as 50% lethal dose was determined at 200 mg/kg	ChEMBL.	3820230
MED (functional)	= 0.083 mM kg-1	Antitumor activity against L1210 Leukemia in mice at a dose of 50 mg/kg was determined.	ChEMBL.	3820230
MED (functional)	= 0.16 mM kg-1	Antitumor activity against L1210 Leukemia in mice at a dose of 100 mg/kg was determined.	ChEMBL.	3820230
MED (functional)	= 0.32 mM kg-1	Antitumor activity against L1210 Leukemia in mice at a dose of 200 mg/kg was determined.	ChEMBL.	3820230

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.

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External resources for this compound

ChEMBL: CHEMBL2371191

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1743167