TDR Targets

Basic information

Technical information

TDR Targets ID: 561121
Name: ikarugamycin
MW: 478.623 | Formula: C29H38N2O4
H donors: 3 H acceptors: 4 LogP: 5.39 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CCC1C(C)CC2C1C=CC1C2CC2C1CC=CC(=O)NCCCC1C(=O)C(=C(O)N1)C(=O)C=C2
InChi: 1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,31,35H,3,5-7,13-15H2,1-2H3,(H,30,33)/b8-4+,12-9-
InChiKey: YNCFAYVJWPFGAK-WBSJPGFJSA-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
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0052	0.0241	0.0225
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0148	0.0148
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.153	1	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.1498	0.1427
Echinococcus granulosus	peregrin	0.0032	0.011	0.0098
Brugia malayi	Bromodomain containing protein	0.0032	0.011	0.0045
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.153	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0241	0.0241
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0052	0.0241	0.0241
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0012	0.0012
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0214	0.0214
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0049	0.0037
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0052	0.0241	0.0241
Onchocerca volvulus		0.0031	0.0104	0.007
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0172	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0375	0.0359
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0241	0.0159
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0176	0.0176
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0368	0.0356
Schistosoma mansoni	adenosylhomocysteinase	0.0947	0.6149	0.6149
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0156	0.014
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0214	0.0214
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0148	0.0132
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0171	0.0159
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.153	1	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0098	0.0005
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.153	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.0542	0.0531
Schistosoma mansoni	chromobox protein	0.0071	0.0368	0.0368
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0052	0.0241	0.0241
Echinococcus multilocularis	peregrin	0.0032	0.011	0.0098
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0161	0.0078
Brugia malayi	jmjC domain containing protein	0.0038	0.0148	0.0084
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0304	0.0288
Schistosoma mansoni	adenosylhomocysteinase	0.153	1	1
Echinococcus granulosus	chromobox protein 1	0.0071	0.0368	0.0356
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0098	0.0087
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0181	0.0098
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0324	0.0324
Brugia malayi	Bromodomain containing protein	0.0039	0.0156	0.0091
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0368	0.0287
Onchocerca volvulus		0.0243	0.1498	1
Loa Loa (eye worm)	adenosylhomocysteinase	0.153	1	1
Brugia malayi	chromobox protein homolog 3	0.004	0.0161	0.0096
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.041	0.041
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0214	0.0202
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0052	0.0241	0.0149
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0049	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0214	0.0198
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.153	1	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0052	0.0241	0.023
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.153	1	1
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.153	1	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0241	0.0159
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.0542	0.0531
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0104	0.0088
Echinococcus granulosus	adenosylhomocysteinase	0.153	1	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.0098	0.0034
Toxoplasma gondii	adenosylhomocysteinase, putative	0.153	1	1
Leishmania major	S-adenosylhomocysteine hydrolase	0.153	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0052	0.0241	0.023
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0094	0.0082
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0049	0.0049
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0012	0.0012
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0135	0.0123
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.1304	0.129
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.153	1	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.014	0.0128
Echinococcus multilocularis	zinc finger protein	0.002	0.0029	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0235	0.0219
Brugia malayi	Bromodomain containing protein	0.0077	0.0404	0.0341
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0181	0.0098
Schistosoma mansoni	hypothetical protein	0.003	0.0094	0.0094
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0052	0.0241	0.023
Echinococcus granulosus	chromobox protein 1	0.0071	0.0368	0.0356
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0036	0.002
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0148	0.0136
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.153	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0161	0.0078
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0171	0.0159
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0098	0.0005
Onchocerca volvulus		0.0042	0.0176	0.0583
Brugia malayi	jmjC domain containing protein	0.0098	0.0542	0.048
Brugia malayi	PHD-finger family protein	0.003	0.0094	0.0029
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0091	0.0079
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0094	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0185	0.0169
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0052	0.0241	0.0241
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.014	0.0128
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0214	0.0202
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0368	0.0356
Schistosoma mansoni	adenosylhomocysteinase	0.0947	0.6149	0.6149
Schistosoma mansoni	hypothetical protein	0.0021	0.0036	0.0036
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.03	0.0289
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0098	0.0098
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.03	0.0289
Entamoeba histolytica	adenosylhomocysteinase, putative	0.153	1	0.5
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.048	0.3068	0.301
Echinococcus granulosus	mitogen activated protein kinase	0.0052	0.0241	0.023
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0052	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.003	0.0094	0.0078
Schistosoma mansoni	adenosylhomocysteinase	0.0947	0.6149	0.6149
Brugia malayi	Pre-SET motif family protein	0.0213	0.1304	0.1247
Schistosoma mansoni	adenosylhomocysteinase	0.0947	0.6149	0.6149
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0181	0.0619
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0368	0.0287
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0052	0.0241	0.0241
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0241	0.0159
Loa Loa (eye worm)	hypothetical protein	0.004	0.0161	0.0145
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0368	0.0352
Plasmodium falciparum	adenosylhomocysteinase	0.153	1	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0094	0.0094
Brugia malayi	Heterochromatin protein 1	0.0071	0.0368	0.0305
Echinococcus granulosus	zinc finger protein	0.002	0.0029	0.0017
Giardia lamblia	Kinase, CMGC MAPK	0.0052	0.0241	1
Echinococcus multilocularis	adenosylhomocysteinase	0.153	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0161	0.0477
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0094	0.0078
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0148	0.0148
Schistosoma mansoni	chromobox protein	0.0071	0.0368	0.0368
Trichomonas vaginalis	CMGC family protein kinase	0.0052	0.0241	0.0159
Schistosoma mansoni	serine/threonine protein kinase	0.0052	0.0241	0.0241
Brugia malayi	MAP kinase sur-1	0.0052	0.0241	0.0177
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.153	1	1
Trypanosoma brucei	protein kinase, putative	0.0052	0.0241	0.0241
Schistosoma mansoni	zinc finger protein	0.002	0.0029	0.0029

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

Search by CAS
PubChem: 6441572

Bibliographic References

No literature references available for this target.

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Detailed information for compound 561121