TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 521.623 | Formula: C30H36FN3O4
H donors: 1 H acceptors: 4 LogP: 4.7 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@@H](N1C[C@H](C)[C@@H](CN(C(=O)C2CCCCC2)C)Oc2c(C1=O)cc(cn2)C#Cc1cccc(c1)F)C
InChi: 1S/C30H36FN3O4/c1-20-17-34(21(2)19-35)30(37)26-15-23(13-12-22-8-7-11-25(31)14-22)16-32-28(26)38-27(20)18-33(3)29(36)24-9-5-4-6-10-24/h7-8,11,14-16,20-21,24,27,35H,4-6,9-10,17-19H2,1-3H3/t20-,21-,27+/m0/s1
InChiKey: RHSHHSBXUYCSSQ-NOMHHCBYSA-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	Carbonic anhydrase like protein 2 precursor	0.0026	0.0755	0.0755
Schistosoma mansoni	carbonic anhydrase-related	0.0026	0.0755	0.1132
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0037	0.1272	0.1272
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0026	0.0755	0.1132
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0173	0.7961	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0949	0.0949
Mycobacterium leprae	PROBABLE HYDROLASE	0.0037	0.1272	0.5
Onchocerca volvulus	Matrilysin homolog	0.003	0.0949	0.1192
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0214	1	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0072	0.2988	0.4482
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0026	0.0755	0.5
Schistosoma mansoni	hypothetical protein	0.0146	0.6667	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.2948	0.4422
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.011	0.4858	1
Echinococcus granulosus	GPCR family 2	0.0068	0.2799	0.5762
Echinococcus granulosus	tar DNA binding protein	0.0071	0.2948	0.6069
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.2948	0.6069
Loa Loa (eye worm)	hypothetical protein	0.003	0.0949	0.0949
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0026	0.0755	0.1132
Brugia malayi	Latrophilin receptor protein 2	0.0068	0.2799	0.2799
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0755	0.0755
Brugia malayi	TAR-binding protein	0.0071	0.2948	0.2948
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.2948	0.2948
Schistosoma mansoni	hypothetical protein	0.0026	0.0755	0.1132
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0026	0.0755	0.0755
Echinococcus multilocularis	carbonic anhydrase	0.0026	0.0755	0.1553
Schistosoma mansoni	hypothetical protein	0.0043	0.1569	0.2353
Brugia malayi	Hemopexin family protein	0.0043	0.1569	0.1569
Schistosoma mansoni	hypothetical protein	0.0068	0.2799	0.4198
Mycobacterium ulcerans	hydrolase	0.0037	0.1272	0.5
Brugia malayi	Matrixin family protein	0.003	0.0949	0.0949
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0755	0.0755
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.003	0.0949	0.1423
Echinococcus granulosus	carbonic anhydrase	0.0026	0.0755	0.1553
Echinococcus granulosus	carbonic anhydrase II	0.0026	0.0755	0.1553
Brugia malayi	RNA binding protein	0.0071	0.2948	0.2948
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.2948	0.4422
Brugia malayi	Matrixin family protein	0.0073	0.3052	0.3052
Loa Loa (eye worm)	matrixin family protein	0.0067	0.2755	0.2755
Schistosoma mansoni	hypothetical protein	0.0068	0.2799	0.4198
Brugia malayi	N-terminal motif family protein	0.0173	0.7961	0.7961
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0068	0.2799	0.5762
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.2948	0.4422
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0026	0.0755	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0214	1	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.6667	0.6667
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0026	0.0755	0.5
Echinococcus granulosus	carbonic anhydrase	0.0026	0.0755	0.1553
Brugia malayi	Matrixin family protein	0.003	0.0949	0.0949
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0068	0.2799	0.2799
Loa Loa (eye worm)	matrix metalloproteinase	0.003	0.0949	0.0949
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0026	0.0755	0.0755
Echinococcus multilocularis	carbonic anhydrase II	0.0026	0.0755	0.1553
Loa Loa (eye worm)	matrixin family protein	0.0073	0.3052	0.3052
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.2948	0.2948
Echinococcus granulosus	carbonic anhydrase	0.0026	0.0755	0.1553
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.2948	0.4422
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0068	0.2799	0.2799
Loa Loa (eye worm)	hypothetical protein	0.0173	0.7961	0.7961
Onchocerca volvulus		0.0043	0.1569	0.1971
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.011	0.4858	1
Schistosoma mansoni	carbonic anhydrase-related	0.0026	0.0755	0.1132
Echinococcus multilocularis	GPCR, family 2	0.0068	0.2799	0.5762
Loa Loa (eye worm)	carbonic anhydrase 3	0.0026	0.0755	0.0755
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.2948	0.2948
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0026	0.0755	0.0755
Onchocerca volvulus	Matrilysin homolog	0.0067	0.2755	0.3461
Leishmania major	carbonic anhydrase-like protein	0.0026	0.0755	0.5
Schistosoma mansoni	carbonic anhydrase	0.0026	0.0755	0.1132
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0755	0.0755
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0026	0.0755	0.0755
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0026	0.0755	0.0755
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0067	0.2755	0.3461
Echinococcus multilocularis	carbonic anhydrase	0.0026	0.0755	0.1553
Echinococcus multilocularis	carbonic anhydrase	0.0026	0.0755	0.1553
Brugia malayi	Matrixin family protein	0.003	0.0949	0.0949
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0037	0.1272	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0146	0.6667	0.6667
Toxoplasma gondii	hypothetical protein	0.0026	0.0755	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0068	0.2799	0.5762
Brugia malayi	Matrixin family protein	0.003	0.0949	0.0949
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0026	0.0755	0.0755
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.2948	0.4422
Trypanosoma brucei	carbonic anhydrase-like protein	0.0026	0.0755	0.5
Schistosoma mansoni	hypothetical protein	0.0068	0.2799	0.4198
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0068	0.2799	0.5762
Onchocerca volvulus		0.003	0.0949	0.1192
Loa Loa (eye worm)	RNA binding protein	0.0071	0.2948	0.2948
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2799	0.2799
Loa Loa (eye worm)	hypothetical protein	0.003	0.0949	0.0949
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0214	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0026	0.0755	0.1132
Plasmodium falciparum	carbonic anhydrase	0.0026	0.0755	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0068	0.2799	0.5762
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1272	0.1272
Schistosoma mansoni	hypothetical protein	0.0068	0.2799	0.4198
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0026	0.0755	0.0755

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: CHEMBL3561709

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 2093390