TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 743.485 | Formula: C33H37Br2N5O5
H donors: 1 H acceptors: 2 LogP: 4.56 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: CCOc1cc(OC)ccc1C1=N[C@H]([C@H](N1C(=O)N1CCN(CC1)CCOC(=O)CN)c1ccc(cc1)Br)c1ccc(cc1)Br
InChi: 1S/C33H37Br2N5O5/c1-3-44-28-20-26(43-2)12-13-27(28)32-37-30(22-4-8-24(34)9-5-22)31(23-6-10-25(35)11-7-23)40(32)33(42)39-16-14-38(15-17-39)18-19-45-29(41)21-36/h4-13,20,30-31H,3,14-19,21,36H2,1-2H3/t30-,31+/m0/s1
InChiKey: SFBNMCNCNUYODX-IOWSJCHKSA-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
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0758	0.3512	0.3443
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0293	0.076	0.288
Echinococcus granulosus	cyclin dependent kinase 5	0.1852	1	1
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.1852	1	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.1852	1	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0758	0.3512	0.3443
Trypanosoma cruzi	cyclin 6, putative	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclin b3	0.0758	0.3512	0.3443
Trichomonas vaginalis	CMGC family protein kinase	0.1852	1	1
Onchocerca volvulus		0.0382	0.1283	0.3457
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.061	0.2639	1
Schistosoma mansoni	serine/threonine protein kinase	0.1852	1	1
Mycobacterium ulcerans	thioesterase	0.034	0.1038	0.2064
Trichomonas vaginalis	cyclin D, putative	0.0758	0.3512	0.3443
Trichomonas vaginalis	cyclin B, putative	0.0758	0.3512	0.3443
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0329	0.0969	0.172
Trichomonas vaginalis	conserved hypothetical protein	0.0758	0.3512	0.3443
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0434	0.1592	0.481
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0206	0.0245	0.0141
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Echinococcus multilocularis	cyclin dependent kinase 1	0.1852	1	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.1852	1	1
Schistosoma mansoni	cyclin B	0.0758	0.3512	0.3443
Brugia malayi	Protein kinase domain containing protein	0.1852	1	1
Loa Loa (eye worm)	hypothetical protein	0.0758	0.3512	0.3443
Entamoeba histolytica	cyclin family protein	0.0758	0.3512	0.3443
Loa Loa (eye worm)	hypothetical protein	0.0758	0.3512	0.3443
Trichomonas vaginalis	CMGC family protein kinase	0.1852	1	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0382	0.1283	0.4861
Loa Loa (eye worm)	hypothetical protein	0.0523	0.2119	0.2035
Plasmodium falciparum	protein kinase 5	0.1852	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0416	0.1487	0.1396
Schistosoma mansoni	cyclins	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclins	0.0758	0.3512	0.3443
Giardia lamblia	Kinase, CMGC CDK	0.1852	1	1
Giardia lamblia	Cyclin A	0.0758	0.3512	0.3443
Trypanosoma cruzi	cdc2-related kinase 3	0.1852	1	1
Entamoeba histolytica	cyclin family protein	0.0758	0.3512	0.3443
Trichomonas vaginalis	cyclin B, putative	0.0758	0.3512	0.3443
Onchocerca volvulus		0.0711	0.3235	0.9185
Trichomonas vaginalis	cyclins, putative	0.0758	0.3512	0.3443
Giardia lamblia	G2/mitotic-specific cyclin B	0.0758	0.3512	0.3443
Mycobacterium leprae	Polyketide synthase Pks13	0.061	0.2639	1
Schistosoma mansoni	cyclin B3	0.0758	0.3512	0.3443
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0758	0.3512	0.3443
Loa Loa (eye worm)	hypothetical protein	0.034	0.1035	0.094
Echinococcus multilocularis	cyclin b3	0.0758	0.3512	0.3443
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0377	0.0275
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0408	0.1442	0.4065
Loa Loa (eye worm)	acyl carrier protein	0.0188	0.0134	0.003
Echinococcus multilocularis	cyclin dependent kinase	0.1852	1	1
Echinococcus granulosus	cyclins	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclin dependent kinase	0.1852	1	1
Plasmodium falciparum	cyclin	0.0758	0.3512	0.3443
Trichomonas vaginalis	cyclins, putative	0.0758	0.3512	0.3443
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0434	0.1592	0.6033
Leishmania major	cyclin	0.0758	0.3512	0.3443
Mycobacterium ulcerans	polyketide synthase Pks13	0.061	0.2639	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0334	0.1001	0.3792
Brugia malayi	AMP-binding enzyme family protein	0.0382	0.1283	0.119
Schistosoma mansoni	cyclin d	0.0523	0.2119	0.2035
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0408	0.1442	0.5463
Echinococcus multilocularis	cyclin B	0.0758	0.3512	0.3443
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclins	0.0758	0.3512	0.3443
Toxoplasma gondii	hypothetical protein	0.0575	0.2428	0.2348
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0232	0.0397	0.1505
Giardia lamblia	Hypothetical protein	0.0758	0.3512	0.3443
Onchocerca volvulus	Fatty acid synthase homolog	0.0736	0.3385	0.9627
Trypanosoma cruzi	cyclin, putative	0.0758	0.3512	0.3443
Mycobacterium tuberculosis	Probable thioesterase TesA	0.034	0.1038	0.3934
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0408	0.1442	0.4065
Trichomonas vaginalis	cyclin B, putative	0.0758	0.3512	0.3443
Echinococcus multilocularis	cyclin B3 1	0.0758	0.3512	0.3443
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.1852	1	1
Trypanosoma brucei	mitotic cyclin 6	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclins	0.0758	0.3512	0.3443
Mycobacterium ulcerans	thioesterase TesA	0.034	0.1038	0.2064
Schistosoma mansoni	serine/threonine protein kinase	0.1852	1	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0265	0.0591	0.0492
Giardia lamblia	Kinase, CMGC CDK	0.1852	1	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.1852	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0523	0.2119	0.2035
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0758	0.3512	0.3443
Entamoeba histolytica	cell division protein kinase 2, putative	0.1852	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.1852	1	1
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.1852	1	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0291	0.0744	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0686	0.3088	0.3015
Echinococcus granulosus	cyclin B	0.0758	0.3512	0.3443
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0434	0.1592	0.6033
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0408	0.1442	0.4065
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0408	0.1442	0.1351
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0329	0.0969	0.172
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0408	0.1442	0.5463
Trypanosoma brucei	cdc2-related kinase 1	0.1852	1	1
Trichomonas vaginalis	cyclin A, putative	0.0758	0.3512	0.3443
Trypanosoma cruzi	cyclin, putative	0.0758	0.3512	0.3443
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0758	0.3512	0.3443
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0408	0.1442	0.4065
Loa Loa (eye worm)	cyclin domain-containing protein	0.0758	0.3512	0.3443
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0758	0.3512	0.3443
Mycobacterium ulcerans	polyketide synthase	0.0434	0.1592	0.481
Entamoeba histolytica	cyclin, putative	0.0758	0.3512	0.3443
Plasmodium vivax	protein kinase Crk2	0.1852	1	1
Trypanosoma cruzi	cdc2-related kinase 1	0.1852	1	1
Loa Loa (eye worm)	hypothetical protein	0.1812	0.9762	0.9759
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0408	0.1442	0.5463
Trichomonas vaginalis	cyclin B3, putative	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclin dependent kinase 1	0.1852	1	1
Trichomonas vaginalis	cyclin B, putative	0.0758	0.3512	0.3443
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0408	0.1442	0.4065
Echinococcus multilocularis	cyclin dependent kinase 1	0.1852	1	1
Trichomonas vaginalis	cyclins, putative	0.0758	0.3512	0.3443
Echinococcus granulosus	cyclins	0.0758	0.3512	0.3443
Echinococcus granulosus	G1:S specific cyclin D1	0.0523	0.2119	0.2035
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443
Trichomonas vaginalis	CMGC family protein kinase	0.1852	1	1
Entamoeba histolytica	cyclin, putative	0.0758	0.3512	0.3443
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0774	0.3609	0.3542
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0434	0.1592	0.481
Echinococcus multilocularis	cyclin dependent kinase 5	0.1852	1	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.061	0.2639	1
Onchocerca volvulus		0.0758	0.3512	1
Echinococcus granulosus	cyclin B3 1	0.0758	0.3512	0.3443
Trichomonas vaginalis	cyclins, putative	0.0758	0.3512	0.3443
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0758	0.3512	0.3443
Trichomonas vaginalis	cyclin D, putative	0.0758	0.3512	0.3443
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0396	0.1368	0.5182
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0382	0.1283	0.119
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0396	0.1368	0.5182
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0434	0.1592	0.481
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0329	0.0969	0.172
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0434	0.1592	0.481
Trypanosoma cruzi	cdc2-related kinase 1	0.1852	1	1
Mycobacterium ulcerans	polyketide synthase	0.0408	0.1442	0.4065
Trypanosoma brucei	cdc2-related kinase 3	0.1852	1	1
Trichomonas vaginalis	cyclins, putative	0.0758	0.3512	0.3443
Echinococcus multilocularis	cyclin dependent kinase 6	0.0416	0.1487	0.1396
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0434	0.1592	0.6033
Trichomonas vaginalis	cyclin B, putative	0.0758	0.3512	0.3443
Trypanosoma cruzi	cdc2-related kinase 3	0.1852	1	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0434	0.1592	0.1503
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0408	0.1442	0.4065
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.1852	1	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0434	0.1592	0.481
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.034	0.1038	0.2064
Loa Loa (eye worm)	fatty acid synthase	0.0403	0.141	0.1319
Echinococcus granulosus	cyclin dependent kinase 6	0.0416	0.1487	0.1396
Echinococcus multilocularis	G1:S specific cyclin D1	0.0523	0.2119	0.2035
Echinococcus multilocularis	cyclins	0.0758	0.3512	0.3443

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: CHEMBL2347689

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 1759603