TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 491.554 | Formula: C28H30FN3O4
H donors: 1 H acceptors: 4 LogP: 3.88 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H](N1C[C@H](C)[C@@H](Oc2c(C1=O)cc(cn2)c1ccccc1)CN(C(=O)c1cccc(c1)F)C)C
InChi: 1S/C28H30FN3O4/c1-18-15-32(19(2)17-33)28(35)24-13-22(20-8-5-4-6-9-20)14-30-26(24)36-25(18)16-31(3)27(34)21-10-7-11-23(29)12-21/h4-14,18-19,25,33H,15-17H2,1-3H3/t18-,19+,25-/m0/s1
InChiKey: BCTCWMBRIVBIGV-CEYNDMKZSA-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
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0084	0.0585	0.0723
Onchocerca volvulus		0.0017	0.001	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0273	0.2204	0.2726
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0018	0.0019	0.0019
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1184	1	1
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0018	0.0019	0.0029
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Loa Loa (eye worm)	prolyl oligopeptidase	0.096	0.8086	1
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0084	0.0585	0.1251
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0188	0.0188
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Trypanosoma cruzi	oligopeptidase b	0.0084	0.0585	0.1717
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.001	0.0012
Echinococcus granulosus	cathepsin l1	0.0017	0.001	0.001
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0084	0.0585	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0018	0.0019	0.0167
Echinococcus multilocularis	cysteine protease	0.0017	0.001	0.001
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0408	0.3357	0.3357
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0188	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0585	0.0723
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Echinococcus multilocularis	prolyl endopeptidase	0.0084	0.0585	0.0585
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.0188	0.0188
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0018	0.0019	0.0167
Trypanosoma brucei	oligopeptidase b	0.0084	0.0585	0.1251
Mycobacterium tuberculosis	Probable peptidase	0.0084	0.0585	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0019	0.0167
Echinococcus granulosus	acylamino acid releasing enzyme	0.0084	0.0585	0.0585
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0018	0.0019	0.0019
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.001	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.0585	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1015	0.1256
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.096	0.8086	0.8086
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.0018	0.0019	0.0024
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0342	0.2788	0.3447
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0408	0.3357	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0017	0.001	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0024
Brugia malayi	Serine protease Z688.6 precursor	0.0018	0.0019	0.0024
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0408	0.3357	0.3357
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0084	0.0585	0.1251
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0084	0.0585	1
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0084	0.0585	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0188	0.0533
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Leishmania major	cathepsin L-like protease	0.0066	0.0425	0.1239
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.0304	0.088
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0084	0.0585	1
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0342	0.2788	0.2788
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0425	0.1239
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0018	0.0019	0.0167
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0408	0.3357	1
Onchocerca volvulus		0.0017	0.001	0.0012
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.001	0.0012
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0084	0.0585	0.1717
Onchocerca volvulus		0.0017	0.001	0.0012
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0408	0.3357	1
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0084	0.0585	0.1717
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.001	0.0012
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0084	0.0585	0.1971
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0018	0.0019	0.0029
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0188	0.0188
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0585	0.1717
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.0188	0.0188
Brugia malayi	prolyl oligopeptidase family protein	0.0408	0.3357	0.4152
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.001	0.0012
Loa Loa (eye worm)	cysteine protease	0.0017	0.001	0.0012
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0342	0.2788	0.2788
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.001	0.0012
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0084	0.0585	0.1717
Entamoeba histolytica	hypothetical protein, conserved	0.0084	0.0585	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0188	0.3104
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0084	0.0585	0.5
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0084	0.0585	0.1717
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Onchocerca volvulus		0.0017	0.001	0.0012
Trypanosoma cruzi	prolyl endopeptidase	0.0084	0.0585	0.1717
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.096	0.8086	1
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0084	0.0585	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.001	0.0012
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.001	0.001
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.001	0.001
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0084	0.0585	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Brugia malayi	Serine carboxypeptidase S28 family protein	0.0018	0.0019	0.0024
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0084	0.0585	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0188	0.3104
Echinococcus granulosus	prolyl endopeptidase	0.0084	0.0585	0.0585
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0358	0.2927	1
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0084	0.0585	0.1251
Brugia malayi	prolyl oligopeptidase family protein	0.096	0.8086	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0084	0.0585	0.0723
Leishmania major	oligopeptidase b	0.0084	0.0585	0.1717
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.001	0.001
Leishmania major	cathepsin L-like protease	0.0066	0.0425	0.1239
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0188	0.3104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Loa Loa (eye worm)	prolyl oligopeptidase	0.0084	0.0585	0.0723
Onchocerca volvulus		0.0018	0.0019	0.0024
Trypanosoma cruzi	oligopeptidase b	0.0084	0.0585	0.1717
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0425	0.1239
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.0188	0.3104
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0084	0.0585	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.0425	0.1239
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0408	0.3357	1
Brugia malayi	prolyl oligopeptidase family protein	0.0084	0.0585	0.0723
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0084	0.0585	0.0723
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0084	0.0585	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Loa Loa (eye worm)	ctsf protein	0.0017	0.001	0.0012
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0585	1
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0084	0.0585	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0024
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Onchocerca volvulus		0.0017	0.001	0.0012
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.001	0.001
Brugia malayi	prolyl oligopeptidase family protein	0.0084	0.0585	0.0723
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0084	0.0585	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Onchocerca volvulus		0.0017	0.001	0.0012
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0408	0.3357	1
Echinococcus multilocularis	cysteine protease	0.0017	0.001	0.001
Brugia malayi	hypothetical protein	0.0273	0.2204	0.2726
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0188	0.0188
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0018	0.0019	0.0167
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.0188	0.0233
Trichomonas vaginalis	lysosomal pro-X carboxypeptidase, putative	0.0018	0.0019	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0585	0.0723
Plasmodium falciparum	peptidase, putative	0.0084	0.0585	1
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0019	0.0167
Brugia malayi	Cathepsin L-like precursor	0.0017	0.001	0.0012
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0038	0.0188	0.2987
Trypanosoma cruzi	hypothetical protein, conserved	0.0084	0.0585	0.1717
Trypanosoma cruzi	putative prolyl carboxypeptidase, putative	0.0018	0.0019	0.0029
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0084	0.0585	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.0376	0.1093
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.001	0.001
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.001	0.001
Toxoplasma gondii	prolyl endopeptidase	0.0084	0.0585	0.1971
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Brugia malayi	Serine protease Z688.6 precursor	0.0018	0.0019	0.0024
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0018	0.0019	0.0167
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.096	0.8086	0.8086
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0084	0.0585	0.0723
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Toxoplasma gondii	hypothetical protein	0.0084	0.0585	0.1971
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0084	0.0585	0.0723
Leishmania major	cathepsin L-like protease	0.0066	0.0425	0.1239
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.096	0.8086	1
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0408	0.3357	0.4152
Onchocerca volvulus		0.0017	0.001	0.0012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.0425	0.0746
Toxoplasma gondii	serine carboxypeptidase s28 protein	0.0018	0.0019	0.0033
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.0188	0.0233
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.0188	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0188	0.0233
Brugia malayi	prolyl oligopeptidase family protein	0.0084	0.0585	0.0723
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0018	0.0019	0.0167
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.0425	0.1239
Trypanosoma brucei	prolyl endopeptidase	0.0084	0.0585	0.1251
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0024
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.0188	0.0233
Loa Loa (eye worm)	fibroinase	0.0017	0.001	0.0012
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.001	0.0012

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: CHEMBL3186810

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 1870243