TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.382 | Formula: C23H24Cl2N6O
H donors: 1 H acceptors: 4 LogP: 3.57 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)c1nnn(c1)Cc1ccccc1Cl)N.Cl
InChi: 1S/C23H23ClN6O.ClH/c24-20-6-2-1-4-18(20)14-29-15-22(27-28-29)17-9-7-16(8-10-17)12-21(26)23(31)30-11-3-5-19(30)13-25;/h1-2,4,6-10,15,19,21H,3,5,11-12,14,26H2;1H/t19-,21-;/m0./s1
InChiKey: HNEJMLIGHOTICV-RQBPZYBGSA-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	dipeptidyl-peptidase 7	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 4	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 9	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 8	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	Dipeptidyl peptidase 9	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative	Get druggable targets OG5_139351	All targets in OG5_139351
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	Get druggable targets OG5_129743	All targets in OG5_129743
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129743	All targets in OG5_129743
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_129743	All targets in OG5_129743
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K08656 dipeptidyl-peptidase 9, putative	Get druggable targets OG5_129743	All targets in OG5_129743
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	Get druggable targets OG5_129743	All targets in OG5_129743
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Leishmania mexicana	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	Get druggable targets OG5_129743	All targets in OG5_129743
Leishmania donovani	serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	Get druggable targets OG5_128614	All targets in OG5_128614
Leishmania braziliensis	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Leishmania infantum	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus granulosus	Dipeptidyl peptidase 9	Get druggable targets OG5_129743	All targets in OG5_129743
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	Get druggable targets OG5_139351	All targets in OG5_139351
Trypanosoma brucei gambiense	dipeptidyl-peptidase 8-like serine protease	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	serine carboxypeptidase S28, putative	dipeptidyl-peptidase 7	492 aa	471 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0157	0.5
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0157	0.5
Loa Loa (eye worm)	hypothetical protein	0.0166	0.117	0.3088
Echinococcus granulosus	tumor protein p63	0.067	0.5547	1
Loa Loa (eye worm)	brahma associated protein	0.0468	0.3789	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0468	0.3789	1
Schistosoma mansoni	hypothetical protein	0.0468	0.3789	0.3744
Loa Loa (eye worm)	hypothetical protein	0.0166	0.117	0.3088
Echinococcus granulosus	ring and YY1 binding protein	0.0166	0.117	0.205
Schistosoma mansoni	fusion	0.0166	0.117	0.1107
Loa Loa (eye worm)	hypothetical protein	0.0166	0.117	0.3088
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0345	0.2728	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0166	0.117	0.279
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0345	0.2728	0.4879
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0468	0.3789	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0166	0.117	0.205
Brugia malayi	brahma associated protein 60 kDa	0.0468	0.3789	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0166	0.117	0.205
Echinococcus granulosus	zinc finger protein Ran binding	0.0166	0.117	0.205
Brugia malayi	YY1-associated factor 2	0.0166	0.117	0.3011
Trypanosoma brucei	hypothetical protein, conserved	0.0166	0.117	0.3942
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0166	0.117	0.279
Echinococcus multilocularis	SWI:SNF matrix associated	0.0468	0.3789	0.6807
Plasmodium vivax	hypothetical protein, conserved	0.0468	0.3789	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0166	0.117	0.205
Schistosoma mansoni	cellular tumor antigen P53	0.0098	0.0577	0.0509
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0157	0.0307
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0468	0.3789	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0166	0.117	0.3942
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.005	0.0157	0.036
Mycobacterium tuberculosis	Probable peptidase	0.005	0.0157	0.5
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0456	0.3692	0.6631
Loa Loa (eye worm)	hypothetical protein	0.0166	0.117	0.3088
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0166	0.117	0.3011
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0157	0.5
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.035	0.2766	0.4949
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0157	0.036
Loa Loa (eye worm)	hypothetical protein	0.005	0.0157	0.0414
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0157	0.036
Leishmania major	hypothetical protein, conserved	0.0166	0.117	0.3942
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.005	0.0157	0.0086
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0166	0.117	0.3942
Leishmania major	hypothetical protein, conserved	0.0166	0.117	0.3942
Chlamydia trachomatis	SWIB complex protein	0.0468	0.3789	0.5
Echinococcus multilocularis	tumor protein p63	0.067	0.5547	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0157	0.0414
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0157	0.0307
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0157	0.0307
Leishmania major	hypothetical protein, conserved	0.0166	0.117	0.3942
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.005	0.0157	0.5
Onchocerca volvulus		0.0468	0.3789	1
Brugia malayi	brahma associated protein 60 kDa	0.0468	0.3789	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0345	0.2728	1
Brugia malayi	hypothetical protein	0.0161	0.1126	0.2894
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0456	0.3692	0.6631
Toxoplasma gondii	ran binding protein	0.0166	0.117	0.279
Schistosoma mansoni	RNA binding protein	0.0166	0.117	0.1107
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0468	0.3789	1
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.035	0.2766	0.4949
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0345	0.2728	0.4879
Loa Loa (eye worm)	prolyl oligopeptidase	0.035	0.2766	0.7301
Trypanosoma cruzi	hypothetical protein, conserved	0.0166	0.117	0.3942
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0345	0.2728	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0157	0.0086
Onchocerca volvulus		0.0166	0.117	0.279
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0166	0.117	0.3942
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0166	0.117	0.3011
Echinococcus multilocularis	SWI:SNF matrix associated	0.0468	0.3789	0.6807
Schistosoma mansoni	hypothetical protein	0.0166	0.117	0.1107
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0166	0.117	0.3942
Echinococcus multilocularis	SWI:SNF matrix associated	0.0468	0.3789	0.6807
Echinococcus multilocularis	prolyl endopeptidase	0.005	0.0157	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1126	0.2973
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0157	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0468	0.3789	0.6807
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0456	0.3692	0.3647
Loa Loa (eye worm)	hypothetical protein	0.0166	0.117	0.3088
Echinococcus granulosus	acylamino acid releasing enzyme	0.005	0.0157	0.0209
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0468	0.3789	0.6807
Entamoeba histolytica	hypothetical protein, conserved	0.005	0.0157	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0166	0.117	0.3942
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0345	0.2728	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0166	0.117	0.3011
Trypanosoma brucei	hypothetical protein, conserved	0.0166	0.117	0.3942
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0166	0.117	0.205
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0157	0.0086
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0166	0.117	0.3942
Schistosoma mansoni	brg-1 associated factor	0.0468	0.3789	0.3744
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0468	0.3789	1
Brugia malayi	prolyl oligopeptidase family protein	0.0345	0.2728	0.7168
Chlamydia trachomatis	DNA topoisomerase I	0.0468	0.3789	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0166	0.117	0.3942
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0166	0.117	0.205
Echinococcus multilocularis	acylamino acid releasing enzyme	0.005	0.0157	0.0209
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0166	0.117	0.3011
Trypanosoma cruzi	WLM domain containing protein, putative	0.0166	0.117	0.3942
Trichomonas vaginalis	conserved hypothetical protein	0.0468	0.3789	1
Schistosoma mansoni	hypothetical protein	0.0468	0.3789	0.3744
Schistosoma mansoni	TRABID protein (C64 family)	0.0166	0.117	0.1107
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0345	0.2728	0.2675
Loa Loa (eye worm)	prolyl oligopeptidase	0.005	0.0157	0.0414
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0157	0.0086
Schistosoma mansoni	hypothetical protein	0.0468	0.3789	0.3744
Schistosoma mansoni	zinc finger protein	0.0166	0.117	0.1107
Onchocerca volvulus		0.0166	0.117	0.279
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0042	0.0111
Onchocerca volvulus		0.0166	0.117	0.279
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0345	0.2728	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0157	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0468	0.3789	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0468	0.3789	1
Onchocerca volvulus		0.0098	0.0577	0.1156
Echinococcus granulosus	SWI:SNF matrix associated	0.0468	0.3789	0.6807
Trypanosoma cruzi	hypothetical protein, conserved	0.0166	0.117	0.3942
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0577	0.1522
Echinococcus granulosus	prolyl endopeptidase	0.005	0.0157	0.0209
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.005	0.0157	0.5
Leishmania major	hypothetical protein, conserved	0.0166	0.117	0.3942
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.035	0.2766	0.7185
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0166	0.117	0.3942
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.005	0.0157	0.5
Onchocerca volvulus		0.0166	0.117	0.279
Leishmania major	hypothetical protein, conserved	0.0166	0.117	0.3942
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.035	0.2766	0.2714
Brugia malayi	prolyl oligopeptidase family protein	0.035	0.2766	0.7271
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0157	0.5
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0211	0.1559	0.386
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0157	0.5
Echinococcus granulosus	Zinc finger RanBP2 type	0.0166	0.117	0.205
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0166	0.117	0.279
Trypanosoma cruzi	WLM domain containing protein, putative	0.0166	0.117	0.3942
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1325	0.3498

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15.24 nM	Inhibition of human purified His-tagged DPP-4 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry	ChEMBL.	23938053
IC50 (binding)	= 280 nM	Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry	ChEMBL.	23938053
IC50 (binding)	= 390 nM	Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry	ChEMBL.	23938053
IC50 (binding)	= 520 nM	Inhibition of human purified His-tagged DPP-7 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence spectrophotometry	ChEMBL.	23938053

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: CHEMBL2418627

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 1769793