TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.231 | Formula: C17H15BrN4O2
H donors: 1 H acceptors: 4 LogP: 2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2c1cccc2Br
InChi: 1S/C17H15BrN4O2/c18-14-5-1-4-12-13(6-7-20-16(12)14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
InChiKey: KEZAZIKPPLGXGR-NSHDSACASA-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
Mus musculus	fibroblast activation protein	Starlite/ChEMBL	References
Homo sapiens	prolyl endopeptidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	Get druggable targets OG5_128614	All targets in OG5_128614
Trypanosoma brucei	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Toxoplasma gondii	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Echinococcus multilocularis	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Trypanosoma brucei gambiense	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma japonicum	Prolyl endopeptidase, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	Get druggable targets OG5_129295	All targets in OG5_129295
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania mexicana	prolyl oligopeptidase, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative	Get druggable targets OG5_129295	All targets in OG5_129295
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma cruzi	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Onchocerca volvulus	Prolyl endopeptidase homolog	Get druggable targets OG5_129295	All targets in OG5_129295
Neospora caninum	Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related	Get druggable targets OG5_129295	All targets in OG5_129295
Trypanosoma congolense	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Leishmania infantum	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	Get druggable targets OG5_129295	All targets in OG5_129295
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614
Leishmania donovani	prolyl endopeptidase	Get druggable targets OG5_129295	All targets in OG5_129295
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	Get druggable targets OG5_129295	All targets in OG5_129295

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	oligopeptidase b	prolyl endopeptidase	710 aa	630 aa	27.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	glycine receptor subunit beta	0.0154	0.196	0.196
Onchocerca volvulus		0.0446	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2528	0.2528
Onchocerca volvulus		0.0446	1	1
Echinococcus granulosus	nAChR subunit	0.0154	0.196	0.196
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0446	1	1
Onchocerca volvulus		0.0154	0.196	0.196
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0142	0.1613	0.5
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0087	0.0108	0.0108
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0154	0.196	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0446	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0446	1	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0446	1	1
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0226	0.3937	0.3937
Trypanosoma brucei	prolyl endopeptidase	0.0175	0.2528	1
Brugia malayi	Cation transporter family protein	0.0154	0.196	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0446	1	1
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0154	0.196	0.196
Echinococcus multilocularis	prolyl endopeptidase	0.0175	0.2528	0.2528
Echinococcus multilocularis	glycine receptor subunit beta	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0446	1	1
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0154	0.196	0.196
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0375	0.804	0.804
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Brugia malayi	prolyl oligopeptidase family protein	0.0175	0.2528	0.2528
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0446	1	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0154	0.196	0.196
Brugia malayi	Cation transporter family protein	0.0154	0.196	0.196
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0226	0.3937	0.3937
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Entamoeba histolytica	hypothetical protein	0.0083	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0154	0.196	0.196
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Trypanosoma cruzi	prolyl endopeptidase	0.0175	0.2528	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0154	0.196	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0154	0.196	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Onchocerca volvulus		0.0446	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0446	1	1
Echinococcus granulosus	prolyl endopeptidase	0.0175	0.2528	0.2528
Loa Loa (eye worm)	LGC-31 protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Onchocerca volvulus		0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Echinococcus granulosus	glycine receptor subunit beta	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0446	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Loa Loa (eye worm)	ACC-1 protein	0.0154	0.196	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0446	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0154	0.196	0.196
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0175	0.2528	0.2528
Loa Loa (eye worm)	hypothetical protein	0.0154	0.196	0.196
Brugia malayi	prolyl oligopeptidase family protein	0.0226	0.3937	0.3937
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0226	0.3937	0.3937
Echinococcus multilocularis	nAChR subunit	0.0154	0.196	0.196
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Onchocerca volvulus		0.0154	0.196	0.196
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0446	1	1
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Onchocerca volvulus	Putative nachr subunit	0.0446	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0154	0.196	0.196
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0154	0.196	0.196
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0226	0.3937	0.3937
Loa Loa (eye worm)	prolyl oligopeptidase	0.0226	0.3937	0.3937
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0154	0.196	0.196
Brugia malayi	prolyl oligopeptidase family protein	0.0087	0.0108	0.0108
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0154	0.196	0.196
Echinococcus multilocularis	glycine receptor subunit beta	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit	0.0154	0.196	0.196
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0154	0.196	0.196
Loa Loa (eye worm)	ACC-1 protein	0.0154	0.196	0.196
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0087	0.0108	0.0108
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0175	0.2528	0.2528
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0154	0.196	0.196
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0087	0.0108	0.0108
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0154	0.196	0.196
Toxoplasma gondii	prolyl endopeptidase	0.0175	0.2528	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0154	0.196	0.196
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0154	0.196	0.196
Loa Loa (eye worm)	hypothetical protein	0.0446	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0154	0.196	0.196
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0154	0.196	0.196
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0175	0.2528	0.2528
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0446	1	1
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0154	0.196	0.196
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0154	0.196	0.196
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0154	0.196	0.196
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0175	0.2528	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0154	0.196	0.196
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0154	0.196	0.196

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 360 nM	Enzymatic Assay	BINDINGDB.	No reference
IC50 (binding)	= 370 nM	Enzymatic Assay	BINDINGDB.	No reference
IC50 (binding)	> 100000 nM	Enzymatic Assay	BINDINGDB.	No reference
IC50 (binding)	> 100000 nM	Enzymatic Assay	BINDINGDB.	No reference
IC50 (binding)	> 100000 nM	Enzymatic Assay	BINDINGDB.	No reference
IC50 (binding)	= 0.36 uM	Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition	ChEMBL.	24900696
IC50 (binding)	= 0.37 uM	Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition	ChEMBL.	24900696
IC50 (binding)	> 100 uM	Inhibition of DPP2 in human seminal plasma using Lys-Ala-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition	ChEMBL.	24900696
IC50 (binding)	> 100 uM	Inhibition of DPP4 in human seminal plasma using Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition	ChEMBL.	24900696

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: CHEMBL2385275

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 1776465