TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 503.565 | Formula: C29H30FN3O4
H donors: 3 H acceptors: 6 LogP: 4.81 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)c(C)n(n2)c1ccccc1)C(C)C)O)CC(=O)O
InChi: 1S/C29H30FN3O4/c1-17(2)28-24(14-13-22(34)15-23(35)16-25(36)37)27(19-9-11-20(30)12-10-19)26-18(3)33(32-29(26)31-28)21-7-5-4-6-8-21/h4-14,17,22-23,34-35H,15-16H2,1-3H3,(H,36,37)/b14-13+/t22-,23-/m1/s1
InChiKey: BMFRLNRPXNUICP-OKRGKCMKSA-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	Smad1	0.0052	0.0277	0.0277
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0039	0.0146	0.0174
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0052	0.0277	0.033
Trypanosoma cruzi	DNA polymerase eta, putative	0.0054	0.029	0.3317
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0898	0.8382	1
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0039	0.0146	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0898	0.8382	1
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0039	0.0146	0.0146
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0039	0.0146	0.0146
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0182	0.1523	1
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0039	0.0146	0.0146
Echinococcus granulosus	smad	0.0052	0.0277	0.033
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0052	0.0277	0.033
Leishmania major	hypothetical protein, conserved	0.0086	0.0598	1
Schistosoma mansoni	hypothetical protein	0.0337	0.3011	0.3592
Plasmodium vivax	ataxin-2 like protein, putative	0.0086	0.0598	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.029	0.029
Loa Loa (eye worm)	hypothetical protein	0.1067	1	1
Onchocerca volvulus		0.0039	0.0146	0.0957
Brugia malayi	G-protein alpha subunit	0.0039	0.0146	0.0146
Brugia malayi	RNA binding protein	0.0423	0.3829	0.3829
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0146	0.0146
Loa Loa (eye worm)	transcription factor SMAD2	0.0767	0.7128	0.7128
Schistosoma mansoni	tar DNA-binding protein	0.0423	0.3829	0.4568
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0039	0.0146	0.0174
Schistosoma mansoni	hypothetical protein	0.0337	0.3011	0.3592
Echinococcus multilocularis	dna polymerase eta	0.0054	0.029	0.0346
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0039	0.0146	0.0174
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0039	0.0146	0.0174
Schistosoma mansoni	hypothetical protein	0.0038	0.0145	0.0172
Brugia malayi	hypothetical protein	0.0039	0.0146	0.0146
Brugia malayi	N-terminal motif family protein	0.0182	0.1523	0.1523
Schistosoma mansoni	hypothetical protein	0.0332	0.2956	0.3527
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0423	0.3829	0.3829
Schistosoma mansoni	smad1 5 8 and	0.0052	0.0277	0.033
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0039	0.0146	0.0174
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0038	0.0145	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0337	0.3011	0.3011
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0039	0.0146	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0598	0.0598
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0039	0.0146	0.0174
Plasmodium falciparum	ataxin-2 like protein, putative	0.0086	0.0598	0.5
Echinococcus multilocularis	expressed protein	0.0039	0.0146	0.0174
Loa Loa (eye worm)	Smad1	0.0052	0.0277	0.0277
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0337	0.3011	0.3592
Loa Loa (eye worm)	MH2 domain-containing protein	0.0052	0.0277	0.0277
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0337	0.3011	0.3011
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0039	0.0146	0.5
Leishmania major	DNA polymerase eta, putative	0.0054	0.029	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0146	0.0146
Loa Loa (eye worm)	TAR-binding protein	0.0423	0.3829	0.3829
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0039	0.0146	0.0174
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0898	0.8382	1
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0039	0.0146	0.0174
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0039	0.0146	0.5
Echinococcus granulosus	geminin	0.0332	0.2956	0.3527
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0039	0.0146	0.0174
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0337	0.3011	0.3592
Schistosoma mansoni	tar DNA-binding protein	0.0423	0.3829	0.4568
Brugia malayi	MH1 domain containing protein	0.0052	0.0277	0.0277
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0039	0.0146	0.0174
Echinococcus granulosus	tar DNA binding protein	0.0423	0.3829	0.4568
Schistosoma mansoni	hypothetical protein	0.0337	0.3011	0.3592
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0039	0.0146	0.0146
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0039	0.0146	0.0146
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0039	0.0146	0.0174
Schistosoma mansoni	smad1 5 8 and	0.0052	0.0277	0.033
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0337	0.3011	0.3011
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0337	0.3011	0.3592
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0898	0.8382	1
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0039	0.0146	0.0146
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0039	0.0146	0.0146
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0039	0.0146	0.0174
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0052	0.0277	0.033
Echinococcus multilocularis	smad	0.0052	0.0277	0.033
Schistosoma mansoni	tar DNA-binding protein	0.0423	0.3829	0.4568
Brugia malayi	MH1 domain containing protein	0.0029	0.0053	0.0053
Echinococcus multilocularis	geminin	0.0332	0.2956	0.3527
Brugia malayi	MH2 domain containing protein	0.0052	0.0277	0.0277
Schistosoma mansoni	hypothetical protein	0.0337	0.3011	0.3592
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0039	0.0146	0.5
Echinococcus granulosus	Smad4	0.0052	0.0277	0.033
Echinococcus multilocularis	tar DNA binding protein	0.0423	0.3829	0.4568
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0039	0.0146	0.0174
Schistosoma mansoni	smad	0.0052	0.0277	0.033
Entamoeba histolytica	G protein alpha subunit, putative	0.0039	0.0146	0.5
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0039	0.0146	0.0174
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.0039	0.0146	0.0174
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0039	0.0146	0.5
Echinococcus multilocularis	Smad4	0.0052	0.0277	0.033
Schistosoma mansoni	tar DNA-binding protein	0.0423	0.3829	0.4568
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0146	0.0146
Loa Loa (eye worm)	RNA binding protein	0.0423	0.3829	0.3829
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0039	0.0146	0.0174
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0039	0.0146	0.0174
Trypanosoma cruzi	PAB1-binding protein , putative	0.0086	0.0598	1
Echinococcus granulosus	dna polymerase eta	0.0054	0.029	0.0346
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0039	0.0146	0.5
Brugia malayi	MH1 domain containing protein	0.0052	0.0277	0.0277
Schistosoma mansoni	DNA polymerase eta	0.0054	0.029	0.0346
Brugia malayi	Latrophilin receptor protein 2	0.0337	0.3011	0.3011
Schistosoma mansoni	smad1 5 8 and	0.0052	0.0277	0.033
Echinococcus granulosus	GPCR family 2	0.0337	0.3011	0.3592
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0039	0.0146	0.0174
Schistosoma mansoni	hypothetical protein	0.0729	0.6765	0.8071
Loa Loa (eye worm)	G protein alpha subunit 3	0.0039	0.0146	0.0146
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0039	0.0146	0.0174
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0039	0.0146	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0729	0.6765	0.6765
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1067	1	1
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0039	0.0146	0.0174
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0039	0.0146	0.0146
Brugia malayi	ImpB/MucB/SamB family protein	0.0054	0.029	0.029
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0898	0.8382	0.8382
Toxoplasma gondii	LsmAD domain-containing protein	0.0086	0.0598	1
Brugia malayi	MH2 domain containing protein	0.0767	0.7128	0.7128
Onchocerca volvulus		0.0039	0.0146	0.0957
Brugia malayi	hypothetical protein	0.0086	0.0598	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0146	0.0146
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0039	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0053
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0039	0.0146	0.0146
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0337	0.3011	0.3592
Loa Loa (eye worm)	nuclear factor I	0.0029	0.0053	0.0053
Brugia malayi	latrophilin 2 splice variant baaae	0.0729	0.6765	0.6765
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0898	0.8382	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0038	0.0145	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1523	0.1523
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0039	0.0146	0.0146
Echinococcus granulosus	expressed protein	0.0039	0.0146	0.0174
Onchocerca volvulus		0.0039	0.0146	0.0957
Plasmodium falciparum	ataxin-2 like protein, putative	0.0086	0.0598	0.5
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0039	0.0146	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0146	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0423	0.3829	0.4568
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0039	0.0146	0.0146
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1067	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0898	0.8382	0.8382
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0039	0.0146	0.0146
Trypanosoma cruzi	PAB1-binding protein , putative	0.0086	0.0598	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0052	0.0277	0.0277
Brugia malayi	MH2 domain containing protein	0.0052	0.0277	0.0277
Loa Loa (eye worm)	MH2 domain-containing protein	0.0767	0.7128	0.7128
Brugia malayi	TAR-binding protein	0.0423	0.3829	0.3829
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.0039	0.0146	0.0174
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0039	0.0146	0.5
Schistosoma mansoni	hypothetical protein	0.0332	0.2956	0.3527
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0052	0.0277	0.033
Trypanosoma brucei	PAB1-binding protein , putative	0.0086	0.0598	1
Echinococcus multilocularis	GPCR, family 2	0.0337	0.3011	0.3592
Brugia malayi	MH1 domain containing protein	0.0029	0.0053	0.0053
Brugia malayi	hypothetical protein	0.0055	0.0306	0.0306
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0898	0.8382	1
Brugia malayi	RNA recognition motif domain containing protein	0.0423	0.3829	0.3829
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0898	0.8382	1
Schistosoma mansoni	Smad4	0.0052	0.0277	0.033
Echinococcus granulosus	mothers against decapentaplegic 5	0.0052	0.0277	0.033

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: CHEMBL1206527

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 1012653