TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.346 | Formula: C19H16FN3O4
H donors: 3 H acceptors: 4 LogP: 2.09 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CC(c1ccccc1)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1F
InChi: 1S/C19H16FN3O4/c20-13-8-4-5-9-16(13)23-17(24)10-15(22-23)19(27)21-14(11-18(25)26)12-6-2-1-3-7-12/h1-10,14,22H,11H2,(H,21,27)(H,25,26)
InChiKey: WCOPBGMZNVJCMU-UHFFFAOYSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	serine carboxypeptidase III precursor, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma japonicum	ko:K01287 carboxypeptidase C [EC3.4.16.5], putative	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei gambiense	serine carboxypeptidase III precursor, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Echinococcus granulosus	lysosomal protective protein	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	Get druggable targets OG5_126663	All targets in OG5_126663
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei gambiense	serine carboxypeptidase III precursor, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	Get druggable targets OG5_126663	All targets in OG5_126663
Echinococcus granulosus	family S10 non peptidase ue S10 family	Get druggable targets OG5_126663	All targets in OG5_126663
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma japonicum	Lysosomal protective protein precursor, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Leishmania donovani	serine carboxypeptidase (CBP1), putative	Get druggable targets OG5_126663	All targets in OG5_126663
Leishmania infantum	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	hypothetical protein	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma japonicum	expressed protein	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei gambiense	serine carboxypeptidase III precursor, putative,serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Leishmania mexicana	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma congolense	serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Leishmania braziliensis	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	Get druggable targets OG5_126663	All targets in OG5_126663
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	Get druggable targets OG5_126663	All targets in OG5_126663
Echinococcus multilocularis	lysosomal protective protein	Get druggable targets OG5_126663	All targets in OG5_126663

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
Plasmodium vivax	methionine aminopeptidase 2, putative	0.0761	1	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0094	0.1066	0.5
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0094	0.1066	0.1066
Mycobacterium ulcerans	dipeptidase	0.0094	0.1066	0.5
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0094	0.1066	0.1066
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0094	0.1066	0.1066
Loa Loa (eye worm)	DNA-binding protein	0.0094	0.1066	0.1066
Mycobacterium leprae	Probable cytoplasmic peptidase PepQ	0.0094	0.1066	0.5
Onchocerca volvulus		0.0094	0.1066	0.1066
Brugia malayi	metallopeptidase family M24 containing protein	0.0094	0.1066	0.1066
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0094	0.1066	0.1066
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0761	1	1
Chlamydia trachomatis	aminopeptidase P	0.0094	0.1066	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0761	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Leishmania major	methionine aminopeptidase 2, putative	0.0761	1	1
Mycobacterium ulcerans	aminopeptidase	0.0094	0.1066	0.5
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0094	0.1066	0.1066
Trypanosoma brucei	Facilitates chromatin transcription complex subunit spt16	0.0094	0.1066	0.1066
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0094	0.1066	0.1066
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Entamoeba histolytica	methionine aminopeptidase, putative	0.0761	1	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0094	0.1066	0.1066
Plasmodium falciparum	methionine aminopeptidase 2	0.0761	1	1
Trypanosoma brucei	Metallopeptidase family M24, putative	0.0094	0.1066	0.1066
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Mycobacterium ulcerans	cytoplasmic peptidase PepQ	0.0094	0.1066	0.5
Leishmania major	aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0094	0.1066	0.1066
Mycobacterium ulcerans	dipeptidase PepE	0.0094	0.1066	0.5
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.0761	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0761	1	1
Trypanosoma brucei	Xaa-Pro aminopeptidase, putative	0.0094	0.1066	0.1066
Echinococcus granulosus	methionine aminopeptidase type I	0.0094	0.1066	0.1066
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0094	0.1066	0.1066
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0094	0.1066	0.1066
Leishmania major	hypothetical protein, conserved	0.0094	0.1066	0.1066
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0094	0.1066	0.1066
Brugia malayi	metallopeptidase family M24 containing protein	0.0094	0.1066	0.1066
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0761	1	1
Onchocerca volvulus	Dipeptidase C homolog	0.0094	0.1066	0.1066
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0094	0.1066	0.1066
Brugia malayi	metallopeptidase family M24 containing protein	0.0094	0.1066	0.1066
Chlamydia trachomatis	methionine aminopeptidase	0.0094	0.1066	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Treponema pallidum	aminopeptidase P	0.0094	0.1066	0.5
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.0761	1	1
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0094	0.1066	0.5
Echinococcus granulosus	Proliferation associated protein 2G4	0.0094	0.1066	0.1066
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0761	1	1
Brugia malayi	Methionine aminopeptidase protein type I	0.0094	0.1066	0.1066
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0761	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0761	1	1
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0094	0.1066	0.5
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.0761	1	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1066	0.1066
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0094	0.1066	0.1066
Echinococcus granulosus	xaa pro aminopeptidase	0.0094	0.1066	0.1066
Leishmania major	transcription factor-like protein	0.0094	0.1066	0.1066
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0094	0.1066	0.5
Echinococcus granulosus	xaa Pro dipeptidase	0.0094	0.1066	0.1066
Mycobacterium tuberculosis	Dipeptidase PepE	0.0094	0.1066	0.5
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Echinococcus multilocularis	xaa Pro dipeptidase	0.0094	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1066	0.1066
Echinococcus granulosus	xaa Pro dipeptidase	0.0094	0.1066	0.1066
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0094	0.1066	0.1066
Giardia lamblia	Methionine aminopeptidase	0.0761	1	1
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0761	1	1
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Treponema pallidum	methionine aminopeptidase (map)	0.0094	0.1066	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0094	0.1066	0.1066
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0094	0.1066	0.1066
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0094	0.1066	0.1066
Echinococcus granulosus	FACT complex subunit SPT16	0.0094	0.1066	0.1066
Trypanosoma cruzi	aminopeptidase P, putative	0.0094	0.1066	0.1066
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0094	0.1066	0.1066
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0094	0.1066	0.1066
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0094	0.1066	0.1066
Trypanosoma cruzi	aminopeptidase P1, putative	0.0094	0.1066	0.1066
Mycobacterium tuberculosis	Probable cytoplasmic peptidase PepQ	0.0094	0.1066	0.5
Echinococcus multilocularis	FACT complex subunit SPT16	0.0094	0.1066	0.1066
Onchocerca volvulus	FACT complex subunit SPT16 homolog	0.0094	0.1066	0.1066
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0761	1	1
Trypanosoma brucei	methionine aminopeptidase, putative	0.0094	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1066	0.1066
Wolbachia endosymbiont of Brugia malayi	Xaa-Pro aminopeptidase	0.0094	0.1066	0.5
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0094	0.1066	0.1066
Trypanosoma cruzi	Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative	0.0094	0.1066	0.1066
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0094	0.1066	0.1066
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0094	0.1066	0.5
Echinococcus multilocularis	xaa Pro dipeptidase	0.0094	0.1066	0.1066
Echinococcus multilocularis	xaa pro aminopeptidase	0.0094	0.1066	0.1066
Schistosoma mansoni	peptidase	0.0094	0.1066	0.1066
Echinococcus granulosus	methionyl aminopeptidase 2	0.0761	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0761	1	1
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0094	0.1066	0.1066
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0094	0.1066	0.1066
Mycobacterium ulcerans	methionine aminopeptidase	0.0094	0.1066	0.5
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0094	0.1066	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.226 uM	Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substrate incubated for 15 mins prior to substrate addition measured after 15 mins by fluorimetric analysis	ChEMBL.	22861813

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: CHEMBL3145351

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1847294