TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.341 | Formula: C19H16Cl2N6OS
H donors: 2 H acceptors: 4 LogP: 4.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)Nc1scc(n1)C
InChi: 1S/C19H16Cl2N6OS/c1-9-8-29-19(23-9)26-17(28)15-7-27-16(12-4-3-11(20)5-14(12)21)13(6-22)10(2)24-18(27)25-15/h3-5,7-8H,6,22H2,1-2H3,(H,23,26,28)
InChiKey: OWMXEZHWICQIBU-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	dipeptidyl-peptidase 8	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 9	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Trypanosoma brucei gambiense	dipeptidyl-peptidase 8-like serine protease	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
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	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 infantum	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	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
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
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	Dipeptidyl peptidase 9	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
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
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_129743	All targets in OG5_129743
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
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	Get druggable targets OG5_129743	All targets in OG5_129743
Schistosoma japonicum	ko:K08656 dipeptidyl-peptidase 9, putative	Get druggable targets OG5_129743	All targets in OG5_129743
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
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	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
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus multilocularis	Dipeptidyl peptidase 9	Get druggable targets OG5_129743	All targets in OG5_129743

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
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.005	0.0469	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.069	1	1
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0345	0.4873	0.4873
Trypanosoma cruzi	oligopeptidase b	0.005	0.0469	0.0963
Echinococcus multilocularis	geminin	0.0168	0.2231	0.2231
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Brugia malayi	RNA, U transporter 1	0.0082	0.0942	0.1908
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Entamoeba histolytica	hypothetical protein	0.0023	0.0075	0.159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0155	0.0315
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0009	0.0018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Plasmodium falciparum	importin beta, putative	0.0029	0.0155	0.331
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0469	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0009	0.0009
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0009	0.0189
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0009	0.0018
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0161	0.213	0.4313
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0469	0.0963
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.035	0.4939	0.4939
Schistosoma mansoni	hypothetical protein	0.0168	0.2231	0.2231
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0155	0.0319
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0469	0.095
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0009	0.0009
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0469	0.0963
Toxoplasma gondii	hypothetical protein	0.005	0.0469	0.1635
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0345	0.4873	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0009	0.0018
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1491	0.302
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0009	0.0018
Echinococcus multilocularis	snurportin 1	0.0306	0.4284	0.4284
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.005	0.0469	0.0963
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.005	0.0469	0.0963
Schistosoma mansoni	importin beta-1	0.0029	0.0155	0.0155
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0155	0.0541
Echinococcus granulosus	acylamino acid releasing enzyme	0.005	0.0469	0.0469
Entamoeba histolytica	hypothetical protein, conserved	0.005	0.0469	1
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.005	0.0469	0.0963
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0469	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0075	0.159
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0009	0.0009
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0009	0.0018
Echinococcus multilocularis	acylamino acid releasing enzyme	0.005	0.0469	0.0469
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0009	0.0009
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.005	0.0469	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0009	0.0189
Trypanosoma cruzi	prolyl endopeptidase	0.005	0.0469	0.0963
Plasmodium falciparum	peptidase, putative	0.005	0.0469	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0345	0.4873	1
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0469	0.095
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0469	0.095
Echinococcus granulosus	dna polymerase eta	0.0019	0.0009	0.0009
Leishmania major	oligopeptidase b	0.005	0.0469	0.0963
Schistosoma mansoni	hypothetical protein	0.0168	0.2231	0.2231
Toxoplasma gondii	prolyl endopeptidase	0.005	0.0469	0.1635
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0009	0.0189
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0009	0.0009
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1491	0.302
Loa Loa (eye worm)	prolyl oligopeptidase	0.035	0.4939	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.005	0.0469	0.095
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0009	0.0189
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0469	0.0469
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0009	0.0189
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0155	0.0155
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0469	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0345	0.4873	1
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.005	0.0469	0.1635
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.035	0.4939	1
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0469	1
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.005	0.0469	1
Echinococcus granulosus	geminin	0.0168	0.2231	0.2231
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0009	0.0018
Brugia malayi	hypothetical protein	0.0161	0.213	0.4313
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Loa Loa (eye worm)	hypothetical protein	0.005	0.0469	0.095
Brugia malayi	prolyl oligopeptidase family protein	0.0345	0.4873	0.9866
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.005	0.0469	0.0963
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	0.4284	0.8675
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0469	0.0469
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.005	0.0469	1
Trypanosoma brucei	prolyl endopeptidase	0.005	0.0469	0.0963
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.005	0.0469	0.0963
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0075	0.0153
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0009	0.0018
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0009	0.0189
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.005	0.0469	0.0469
Echinococcus multilocularis	prolyl endopeptidase	0.005	0.0469	0.0469
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0009	0.0009
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0345	0.4873	0.4873
Echinococcus granulosus	snurportin 1	0.0306	0.4284	0.4284
Leishmania major	DNA polymerase eta, putative	0.0019	0.0009	0.0018
Brugia malayi	prolyl oligopeptidase family protein	0.035	0.4939	1
Brugia malayi	follicle stimulating hormone receptor	0.0224	0.3071	0.6218
Loa Loa (eye worm)	hypothetical protein	0.0184	0.2471	0.5003
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0009	0.0189
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0009	0.0009
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0075	0.159
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0469	1
Echinococcus granulosus	prolyl endopeptidase	0.005	0.0469	0.0469
Brugia malayi	Importin beta-1 subunit	0.0029	0.0155	0.0315
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0469	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0345	0.4873	1
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0469	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0009	0.0018
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.005	0.0469	0.0963
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0009	0.0189
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0155	0.0319
Schistosoma mansoni	hypothetical protein	0.0306	0.4284	0.4284
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0211	0.2871	1
Trypanosoma brucei	unspecified product	0.0019	0.0009	0.0018
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0155	0.331
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0345	0.4873	0.4873
Mycobacterium tuberculosis	Probable peptidase	0.005	0.0469	1
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.035	0.4939	0.4939
Loa Loa (eye worm)	hypothetical protein	0.005	0.0469	0.095
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0224	0.3071	0.6218
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0009	0.0018
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0469	1
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0469	1
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.035	0.4939	0.4939
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0075	0.0153
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Echinococcus multilocularis	microtubule associated protein 2	0.069	1	1
Trypanosoma brucei	prolyl oligopeptidase, putative	0.005	0.0469	0.0963
Trypanosoma cruzi	oligopeptidase b	0.005	0.0469	0.0963
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0469	0.0469
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0009	0.0009
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0009	0.0018
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0345	0.4873	1
Brugia malayi	MH2 domain containing protein	0.0118	0.1491	0.302
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0469	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0009	0.0018
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0075	0.159
Trypanosoma brucei	oligopeptidase b	0.005	0.0469	0.0963

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.3 nM	Inhibition of human DPP8	ChEMBL.	20684603
Ki (binding)	= 3.5 nM	Inhibition of human DPP9	ChEMBL.	20684603
Ki (binding)	= 6.6 nM	Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage	ChEMBL.	20684603

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: CHEMBL1215090

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 1169091