TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.52 | Formula: C27H27N3O6
H donors: 1 H acceptors: 2 LogP: 3.84 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C(=O)N(c1ccc2c(c1)OC[C@H](O2)COc1ccc(cc1)C(=N)N)Cc1ccccc1
InChi: 1S/C27H27N3O6/c1-2-33-27(32)26(31)30(15-18-6-4-3-5-7-18)20-10-13-23-24(14-20)35-17-22(36-23)16-34-21-11-8-19(9-12-21)25(28)29/h3-14,22H,2,15-17H2,1H3,(H3,28,29)/t22-/m1/s1
InChiKey: TVKPLGVIMIGLSZ-JOCHJYFZSA-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
Brugia malayi	histone deacetylase 1 (HD1)	0.2248	0.5109	0.51
Loa Loa (eye worm)	CYL-1 protein	0.0144	0.0125	0.0125
Echinococcus granulosus	cyclin B	0.0846	0.1788	0.35
Echinococcus granulosus	cyclin y	0.0144	0.0125	0.0245
Echinococcus granulosus	cyclins	0.0144	0.0125	0.0245
Entamoeba histolytica	cyclin family protein	0.0598	0.1199	0.2155
Schistosoma mansoni	cyclin B	0.0846	0.1788	0.35
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Echinococcus multilocularis	Cyclin L1	0.0144	0.0125	0.0245
Trichomonas vaginalis	cyclin B, putative	0.0598	0.1199	0.2155
Trypanosoma cruzi	histone deacetylase, putative	0.0641	0.1303	0.2363
Echinococcus granulosus	cyclins	0.0598	0.1199	0.2347
Echinococcus multilocularis	cyclin y	0.0144	0.0125	0.0245
Trichomonas vaginalis	cyclin B3, putative	0.0598	0.1199	0.2155
Echinococcus granulosus	cyclin dependent kinase	0.0936	0.2001	0.3917
Loa Loa (eye worm)	hypothetical protein	0.0846	0.1788	0.1788
Loa Loa (eye worm)	histone deacetylase 11	0.0641	0.1303	0.1303
Loa Loa (eye worm)	cyclin domain-containing protein	0.0144	0.0125	0.0125
Echinococcus multilocularis	cyclin B	0.0846	0.1788	0.35
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Echinococcus granulosus	histone deacetylase 6	0.0641	0.1303	0.255
Echinococcus multilocularis	histone deacetylase 7	0.0641	0.1303	0.255
Schistosoma mansoni	histone deacetylase 4 5	0.0641	0.1303	0.255
Brugia malayi	Histone deacetylase 1	0.2248	0.5109	0.51
Schistosoma mansoni	histone deacetylase hda2	0.0641	0.1303	0.255
Echinococcus multilocularis	cyclin t1	0.0144	0.0125	0.0245
Brugia malayi	cell division control protein 2 homolog	0.0936	0.2001	0.1986
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Echinococcus multilocularis	cyclin G2	0.0144	0.0125	0.0245
Leishmania major	histone deacetylase, putative	0.0641	0.1303	0.2363
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0125	0.0125
Loa Loa (eye worm)	cyclin C	0.0144	0.0125	0.0125
Toxoplasma gondii	histone deacetylase HDAC2	0.2248	0.5109	1
Echinococcus multilocularis	histone deacetylase 1	0.2248	0.5109	1
Plasmodium falciparum	cyclin	0.0598	0.1199	0.2155
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0936	0.2001	0.3764
Echinococcus granulosus	histone deacetylase 7	0.0641	0.1303	0.255
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0936	0.2001	0.2001
Brugia malayi	Histone deacetylase family protein	0.0641	0.1303	0.1286
Echinococcus granulosus	cyclin dependent kinase 5	0.0936	0.2001	0.3917
Entamoeba histolytica	cyclin family protein	0.0598	0.1199	0.2155
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Onchocerca volvulus		0.0846	0.1788	1
Leishmania major	histone deacetylase, putative	0.2248	0.5109	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0641	0.1303	0.1303
Echinococcus multilocularis	histone deacetylase 6	0.0641	0.1303	0.255
Schistosoma mansoni	g1/s-specific cyclin C	0.0144	0.0125	0.0245
Plasmodium vivax	histone deacetylase, putative	0.0641	0.1303	0.2363
Schistosoma mansoni	cyclin l	0.0144	0.0125	0.0245
Plasmodium falciparum	protein kinase 5	0.0936	0.2001	0.3764
Entamoeba histolytica	cyclin, putative	0.0846	0.1788	0.3337
Trichomonas vaginalis	cyclins, putative	0.0846	0.1788	0.3337
Echinococcus granulosus	cyclins	0.0598	0.1199	0.2347
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0846	0.1788	0.1772
Echinococcus multilocularis	cyclin dependent kinase	0.0936	0.2001	0.3917
Giardia lamblia	Kinase, CMGC CDK	0.0936	0.2001	0.3764
Entamoeba histolytica	histone deacetylase, putative	0.2248	0.5109	1
Echinococcus granulosus	histone deacetylase 6	0.0641	0.1303	0.255
Echinococcus granulosus	cyclin b3	0.0598	0.1199	0.2347
Brugia malayi	Cyclin, N-terminal domain containing protein	0.1265	0.2781	0.2767
Schistosoma mansoni	cyclin B3	0.1265	0.2781	0.5444
Loa Loa (eye worm)	cyclin domain-containing protein	0.0144	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0249	0.0372	0.0372
Loa Loa (eye worm)	hypothetical protein	0.2248	0.5109	0.5109
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0936	0.2001	0.3764
Echinococcus multilocularis	histone deacetylase 6	0.0641	0.1303	0.255
Echinococcus multilocularis	cyclin B3 1	0.0598	0.1199	0.2347
Plasmodium falciparum	histone deacetylase 2	0.0641	0.1303	0.2363
Echinococcus multilocularis	cyclin dependent kinase 1	0.0936	0.2001	0.3917
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.1265	0.2781	0.5444
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Leishmania major	histone deacetylase, putative	0.0641	0.1303	0.2363
Plasmodium vivax	histone deacetylase 1, putative	0.2248	0.5109	1
Echinococcus multilocularis	cyclin G2	0.0144	0.0125	0.0245
Brugia malayi	Cyclin C	0.0144	0.0125	0.0106
Toxoplasma gondii	histone deacetylase HDAC4	0.0641	0.1303	0.2363
Echinococcus granulosus	cyclin G2	0.0144	0.0125	0.0245
Entamoeba histolytica	cyclin, putative	0.0598	0.1199	0.2155
Trichomonas vaginalis	cyclin D, putative	0.0598	0.1199	0.2155
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0936	0.2001	0.2001
Schistosoma mansoni	cyclins	0.0598	0.1199	0.2347
Giardia lamblia	Histone deacetylase	0.2248	0.5109	1
Echinococcus granulosus	histone deacetylase 8	0.0641	0.1303	0.255
Loa Loa (eye worm)	histone deacetylase 1	0.2248	0.5109	0.5109
Toxoplasma gondii	histone deacetylase HDAC1	0.0641	0.1303	0.2363
Trichomonas vaginalis	cyclin D, putative	0.0598	0.1199	0.2155
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0144	0.0125	0.0245
Trichomonas vaginalis	CMGC family protein kinase	0.0936	0.2001	0.3764
Trichomonas vaginalis	cyclins, putative	0.0846	0.1788	0.3337
Giardia lamblia	Kinase, CMGC CDK	0.0936	0.2001	0.3764
Trichomonas vaginalis	cyclins, putative	0.0846	0.1788	0.3337
Brugia malayi	histone deacetylase 3 (HD3)	0.2248	0.5109	0.51
Schistosoma mansoni	hypothetical protein	0.0144	0.0125	0.0245
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Schistosoma mansoni	histone deacetylase 1 2 3	0.0641	0.1303	0.255
Plasmodium vivax	protein kinase Crk2	0.0936	0.2001	0.3764
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0144	0.0125	0.0245
Echinococcus multilocularis	histone deacetylase 8	0.0641	0.1303	0.255
Trichomonas vaginalis	CMGC family protein kinase	0.0936	0.2001	0.3764
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0641	0.1303	0.7081
Echinococcus granulosus	Cyclin L1	0.0144	0.0125	0.0245
Trypanosoma brucei	cdc2-related kinase 3	0.0936	0.2001	0.3764
Plasmodium vivax	histone deacetylase, putative	0.0641	0.1303	0.2363
Loa Loa (eye worm)	histone deacetylase 3	0.2248	0.5109	0.5109
Loa Loa (eye worm)	histone deacetylase	0.0641	0.1303	0.1303
Trichomonas vaginalis	cyclin B, putative	0.0846	0.1788	0.3337
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0936	0.2001	0.2001
Schistosoma mansoni	cyclin k	0.0144	0.0125	0.0245
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0144	0.0125	0.0125
Trypanosoma brucei	mitotic cyclin 6	0.0846	0.1788	0.3337
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Echinococcus multilocularis	histone deacetylase 3	0.2248	0.5109	1
Schistosoma mansoni	Cyclin fold protein	0.0144	0.0125	0.0245
Trypanosoma brucei	histone deacetylase, putative	0.0641	0.1303	0.2363
Trypanosoma cruzi	histone deacetylase, putative	0.0641	0.1303	0.2363
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0125	0.0125
Toxoplasma gondii	histone deacetylase HDAC5	0.0641	0.1303	0.2363
Trypanosoma cruzi	histone deacetylase 1, putative	0.2248	0.5109	1
Trichomonas vaginalis	cyclins, putative	0.0846	0.1788	0.3337
Plasmodium falciparum	histone deacetylase 1	0.2248	0.5109	1
Trypanosoma cruzi	histone deacetylase, putative	0.0641	0.1303	0.2363
Trypanosoma cruzi	cdc2-related kinase 1	0.0936	0.2001	0.3764
Loa Loa (eye worm)	cyclin domain-containing protein	0.0144	0.0125	0.0125
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0144	0.0125	0.0245
Schistosoma mansoni	histone deacetylase	0.2248	0.5109	1
Echinococcus granulosus	cyclin y	0.0144	0.0125	0.0245
Echinococcus granulosus	cyclin t1	0.0144	0.0125	0.0245
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0846	0.1788	0.1772
Schistosoma mansoni	serine/threonine protein kinase	0.0936	0.2001	0.3917
Schistosoma mansoni	cyclin d	0.0144	0.0125	0.0245
Entamoeba histolytica	cell division protein kinase 2, putative	0.0944	0.2021	0.3803
Brugia malayi	Protein kinase domain containing protein	0.0936	0.2001	0.1986
Trichomonas vaginalis	cyclins, putative	0.0598	0.1199	0.2155
Leishmania major	cyclin	0.0846	0.1788	0.3337
Entamoeba histolytica	cell division protein kinase 2, putative	0.0936	0.2001	0.3764
Trypanosoma cruzi	cyclin, putative	0.0846	0.1788	0.3337
Loa Loa (eye worm)	hypothetical protein	0.0925	0.1975	0.1975
Schistosoma mansoni	cyclin G2	0.0144	0.0125	0.0245
Echinococcus granulosus	G1:S specific cyclin D1	0.0144	0.0125	0.0245
Trypanosoma brucei	cdc2-related kinase 1	0.0936	0.2001	0.3764
Trichomonas vaginalis	cyclin B, putative	0.0846	0.1788	0.3337
Plasmodium vivax	histone deacetylase 2, putative	0.0641	0.1303	0.2363
Schistosoma mansoni	histone deacetylase hda2	0.0641	0.1303	0.255
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0846	0.1788	0.3337
Echinococcus multilocularis	cyclin b3	0.0598	0.1199	0.2347
Echinococcus granulosus	cyclin	0.0144	0.0125	0.0245
Echinococcus granulosus	cyclin B3 1	0.0598	0.1199	0.2347
Schistosoma mansoni	hypothetical protein	0.0144	0.0125	0.0245
Giardia lamblia	Hypothetical protein	0.0598	0.1199	0.2155
Brugia malayi	cyclin fold protein 1 variant b	0.0144	0.0125	0.0106
Echinococcus multilocularis	histone deacetylase 6	0.0641	0.1303	0.255
Toxoplasma gondii	histone deacetylase HDAC3	0.2248	0.5109	1
Echinococcus granulosus	cyclin G2	0.0144	0.0125	0.0245
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0936	0.2001	0.3764
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Brugia malayi	hypothetical protein	0.0144	0.0125	0.0106
Loa Loa (eye worm)	cyclin domain-containing protein	0.0144	0.0125	0.0125
Echinococcus multilocularis	cyclin k	0.0144	0.0125	0.0245
Trypanosoma brucei	histone deacetylase 2	0.0641	0.1303	0.2363
Trypanosoma cruzi	histone deacetylase, putative	0.0641	0.1303	0.2363
Echinococcus granulosus	cyclin k	0.0144	0.0125	0.0245
Trichomonas vaginalis	cyclins, putative	0.0393	0.0714	0.1182
Echinococcus granulosus	cyclin dependent kinase 1	0.0936	0.2001	0.3917
Brugia malayi	histone deacetylase 11	0.0641	0.1303	0.1286
Trypanosoma cruzi	cdc2-related kinase 1	0.0936	0.2001	0.3764
Trypanosoma cruzi	histone deacetylase, putative	0.0641	0.1303	0.2363
Echinococcus granulosus	histone deacetylase 3	0.2248	0.5109	1
Trichomonas vaginalis	CMGC family protein kinase	0.0936	0.2001	0.3764
Echinococcus multilocularis	cyclin dependent kinase 1	0.0936	0.2001	0.3917
Trypanosoma cruzi	cdc2-related kinase 3	0.0936	0.2001	0.3764
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2248	0.5109	1
Trypanosoma cruzi	cyclin, putative	0.0846	0.1788	0.3337
Schistosoma mansoni	histone deacetylase	0.2248	0.5109	1
Trypanosoma brucei	histone deacetylase 1	0.2248	0.5109	1
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0144	0.0125	0.0245
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2248	0.5109	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Brugia malayi	hypothetical protein	0.0144	0.0125	0.0106
Trichomonas vaginalis	cyclin B, putative	0.0846	0.1788	0.3337
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Schistosoma mansoni	cyclin G	0.0144	0.0125	0.0245
Loa Loa (eye worm)	cyclin domain-containing protein	0.4312	1	1
Trichomonas vaginalis	cyclin A, putative	0.0846	0.1788	0.3337
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1303	0.1303
Loa Loa (eye worm)	cyclin domain-containing protein	0.0144	0.0125	0.0125
Toxoplasma gondii	hypothetical protein	0.0453	0.0858	0.147
Echinococcus multilocularis	cyclin	0.0144	0.0125	0.0245
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Plasmodium falciparum	histone deacetylase, putative	0.0641	0.1303	0.2363
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.2248	0.5109	1
Giardia lamblia	Cyclin A	0.0598	0.1199	0.2155
Echinococcus granulosus	cyclins	0.0598	0.1199	0.2347
Echinococcus granulosus	histone deacetylase 6	0.0641	0.1303	0.255
Loa Loa (eye worm)	cyclin domain-containing protein	0.1265	0.2781	0.2781
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0936	0.2001	0.3917
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Trypanosoma cruzi	cyclin 6, putative	0.0846	0.1788	0.3337
Leishmania major	histone deacetylase, putative	0.2248	0.5109	1
Echinococcus multilocularis	cyclin y	0.0144	0.0125	0.0245
Trypanosoma brucei	histone deacetylase 3	0.0641	0.1303	0.2363
Echinococcus multilocularis	histone deacetylase	0.0641	0.1303	0.255
Trypanosoma cruzi	histone deacetylase 1, putative	0.2248	0.5109	1
Echinococcus granulosus	histone deacetylase	0.0641	0.1303	0.255
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Trichomonas vaginalis	histone deacetylase, putative	0.2248	0.5109	1
Brugia malayi	Histone deacetylase family protein	0.0641	0.1303	0.1286
Echinococcus granulosus	cyclins	0.0598	0.1199	0.2347
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Giardia lamblia	G2/mitotic-specific cyclin B	0.0846	0.1788	0.3337
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0144	0.0125	0.0245
Echinococcus multilocularis	G1:S specific cyclin D1	0.0144	0.0125	0.0245
Echinococcus multilocularis	cyclin dependent kinase 5	0.0936	0.2001	0.3917
Echinococcus multilocularis	cyclin A3 4	0.0144	0.0125	0.0245
Trypanosoma brucei	histone deacetylase 4	0.0641	0.1303	0.2363
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0846	0.1788	0.3337
Schistosoma mansoni	serine/threonine protein kinase	0.0936	0.2001	0.3917
Echinococcus granulosus	cyclin A3 4	0.0144	0.0125	0.0245
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.1265	0.2781	0.5444
Trichomonas vaginalis	conserved hypothetical protein	0.0598	0.1199	0.2155
Echinococcus granulosus	histone deacetylase 1	0.2248	0.5109	1
Echinococcus granulosus	cyclins	0.0598	0.1199	0.2347
Echinococcus multilocularis	cyclins	0.0598	0.1199	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0846	0.1788	0.1788
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0144	0.0125	0.0106
Trichomonas vaginalis	cyclin B, putative	0.0846	0.1788	0.3337
Schistosoma mansoni	histone deacetylase 4 5	0.0641	0.1303	0.255
Trypanosoma cruzi	cdc2-related kinase 3	0.0936	0.2001	0.3764

Activities

No activities found for this compound.

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: CHEMBL2365196

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1747928