TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.383 | Formula: C20H19N3O4
H donors: 3 H acceptors: 4 LogP: 2.35 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C[C@@H](c1ccccc1C)NC(=O)c1[nH]n(c(=O)c1)c1ccccc1
InChi: 1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(12-19(25)26)21-20(27)17-11-18(24)23(22-17)14-8-3-2-4-9-14/h2-11,16,22H,12H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
InChiKey: HORNJPKKXLGEPK-INIZCTEOSA-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 cruzi	serine peptidase, Clan SC, Family S10, putative	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 carboxypeptidase (CBP1), putative	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
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	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
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
Leishmania infantum	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,serine peptidase, Clan SC, Family S10	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
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	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
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
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
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Schistosoma japonicum	expressed 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
Trypanosoma brucei gambiense	serine carboxypeptidase III precursor, putative	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
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	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
Schistosoma japonicum	Lysosomal protective protein precursor, putative	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
Echinococcus granulosus	family S10 non peptidase ue S10 family	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 mexicana	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
Candida albicans	one of three Carboxypeptidase Y-like genes	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
Candida albicans	one of three Carboxypeptidase Y-like genes	Get druggable targets OG5_126663	All targets in OG5_126663
Candida albicans	hypothetical 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
Schistosoma mansoni	hypothetical protein	0.0101	0.201	0.5739
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0175	0.3664	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.074	0.2424
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0175	0.3664	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0257	0.5484	0.5169
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0652	0.1861
Mycobacterium ulcerans	peptide deformylase	0.0459	1	1
Brugia malayi	beta-lactamase family protein	0.004	0.0652	0.2134
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0459	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0652	0.2134
Treponema pallidum	polypeptide deformylase (def)	0.0459	1	0.5
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0799	0.2281
Entamoeba histolytica	hypothetical protein	0.004	0.0651	0.5
Toxoplasma gondii	hypothetical protein	0.0459	1	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0799	0.2281
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0652	0.5
Loa Loa (eye worm)	hypothetical protein	0.0148	0.3054	1
Echinococcus granulosus	GPCR family 2	0.0047	0.0799	0.2281
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0651	0.1859
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0652	0.1576
Brugia malayi	beta-lactamase	0.004	0.0652	0.2134
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0799	0.2281
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0652	0.1861
Plasmodium vivax	peptide deformylase, putative	0.0459	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.074	0.2424
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0799	0.2616
Echinococcus granulosus	lysosomal protective protein	0.0015	0.0088	0.0252
Echinococcus granulosus	geminin	0.0168	0.3503	1
Schistosoma mansoni	hypothetical protein	0.004	0.0651	0.1859
Trypanosoma brucei	Peptide deformylase 2	0.0175	0.3664	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.201	0.6582
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.074	0.2114
Entamoeba histolytica	hypothetical protein	0.004	0.0651	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0799	0.2616
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0652	0.5
Echinococcus multilocularis	geminin	0.0168	0.3503	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0652	0.2134
Brugia malayi	hypothetical protein	0.004	0.0651	0.2132
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.074	0.2114
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0799	0.2281
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0652	0.1861
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.074	0.2114
Echinococcus multilocularis	lysosomal protective protein	0.0015	0.0088	0.0252
Brugia malayi	MH2 domain containing protein	0.0115	0.2327	0.7618
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0013	0.0055	0.0158
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0459	1	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.074	0.2114
Schistosoma mansoni	hypothetical protein	0.0168	0.3503	1
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0013	0.0055	0.0158
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0652	0.1861
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0799	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0088	0.0288
Onchocerca volvulus		0.004	0.0652	1
Onchocerca volvulus		0.004	0.0652	1
Leishmania major	polypeptide deformylase-like protein, putative	0.0175	0.3664	1
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0652	0.1576
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0459	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0652	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0148	0.3054	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0148	0.3054	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.2327	0.7618
Schistosoma mansoni	hypothetical protein	0.0047	0.0799	0.2281
Entamoeba histolytica	hypothetical protein	0.004	0.0651	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0799	0.2616
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0651	0.1859
Loa Loa (eye worm)	beta-lactamase	0.004	0.0652	0.2134
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.074	0.2114
Plasmodium falciparum	peptide deformylase	0.0459	1	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0799	0.2281
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.074	0.2114
Schistosoma mansoni	hypothetical protein	0.0168	0.3503	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.074	0.2114
Trypanosoma brucei	Polypeptide deformylase 1	0.0175	0.3664	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0148	0.3054	1
Leishmania major	hypothetical protein, conserved	0.004	0.0652	0.1576
Onchocerca volvulus		0.004	0.0652	1
Brugia malayi	beta-lactamase family protein	0.004	0.0652	0.2134
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0652	0.5
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0015	0.0088	0.0288
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Schistosoma mansoni	hypothetical protein	0.0047	0.0799	0.2281
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0652	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0101	0.201	0.6582
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0799	0.2281
Loa Loa (eye worm)	hypothetical protein	0.004	0.0652	0.2134
Trichomonas vaginalis	esterase, putative	0.004	0.0652	0.5
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0015	0.0088	0.0252
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0175	0.3664	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0651	0.1859
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0015	0.0088	0.1352
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0175	0.3664	1
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0015	0.0088	0.0252
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.2327	0.7618
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0652	0.1576
Schistosoma mansoni	hypothetical protein	0.0047	0.0799	0.2281
Entamoeba histolytica	hypothetical protein	0.004	0.0651	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.07 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: CHEMBL3145334

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 1854397