TDR Targets

Basic information

Technical information

TDR Targets ID: 1253883
Name: SR-01000631234-1
MW: 321.373 | Formula: C19H19N3O2
H donors: 0 H acceptors: 3 LogP: 2.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)c1c(C)onc1c1ccccc1)CCc1ccccn1
InChi: 1S/C19H19N3O2/c1-14-17(18(21-24-14)15-8-4-3-5-9-15)19(23)22(2)13-11-16-10-6-7-12-20-16/h3-10,12H,11,13H2,1-2H3
InChiKey: ABZDSWDSXMFCBS-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

ZINC00156215
Maybridge4_001709
Oprea1_265874
IDI1_032291

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0247	0.158	0.4922
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0634	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0322	0.3211	0.3211
Onchocerca volvulus		0.0322	0.3211	1
Onchocerca volvulus	Cathepsin F homolog	0.0322	0.3211	1
Echinococcus granulosus	cathepsin l1	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like precursor	0.0221	0.1022	0.1022
Loa Loa (eye worm)	ctsf protein	0.0322	0.3211	0.2439
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0634	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0634	1	1
Echinococcus granulosus	cathepsin b	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0634	1	1
Plasmodium vivax	vivapain-2	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Echinococcus granulosus	cathepsin b	0.0634	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0634	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0322	0.3211	0.3211
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Echinococcus multilocularis	cathepsin b	0.0634	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0322	0.3211	1
Leishmania major	cysteine peptidase A (CPA)	0.0322	0.3211	1
Echinococcus multilocularis	cysteine protease	0.0322	0.3211	0.3211
Entamoeba histolytica	cysteine protease, putative	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0221	0.1022	0.1022
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0634	1	1
Onchocerca volvulus		0.0322	0.3211	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0247	0.158	0.158
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0322	0.3211	0.2439
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3211	0.2439
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0247	0.158	0.158
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0221	0.1022	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0322	0.3211	0.3211
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0322	0.3211	1
Onchocerca volvulus	Cathepsin L homolog	0.0322	0.3211	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0322	0.3211	0.3211
Trypanosoma cruzi	cysteine peptidase, putative	0.0322	0.3211	0.3211
Giardia lamblia	Cathepsin B precursor	0.0247	0.158	0.5
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Echinococcus multilocularis	cysteine protease	0.0322	0.3211	0.3211
Giardia lamblia	Cathepsin B precursor	0.0247	0.158	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0221	0.1022	0.3182
Brugia malayi	Papain family cysteine protease containing protein	0.0322	0.3211	0.3211
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0247	0.158	0.4922
Onchocerca volvulus		0.0322	0.3211	1
Onchocerca volvulus		0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0322	0.3211	0.2439
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Onchocerca volvulus		0.0322	0.3211	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0322	0.3211	0.3211
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0322	0.3211	0.3211
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0322	0.3211	1
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Loa Loa (eye worm)	cathepsin B	0.0247	0.158	0.0622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like precursor	0.0221	0.1022	0.1022
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0322	0.3211	1
Toxoplasma gondii	cathepsin CPL	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Brugia malayi	cathepsin L-like precursor	0.0221	0.1022	0.1022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0322	0.3211	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0322	0.3211	0.3211
Onchocerca volvulus		0.0322	0.3211	1
Entamoeba histolytica	cysteine proteinase, putative	0.0221	0.1022	0.3182
Onchocerca volvulus	Cathepsin L homolog	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Loa Loa (eye worm)	fibroinase	0.0322	0.3211	0.2439
Echinococcus multilocularis	cathepsin b	0.0634	1	1
Giardia lamblia	Cathepsin B precursor	0.0247	0.158	0.5
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0322	0.3211	0.3211
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0322	0.3211	0.3211
Loa Loa (eye worm)	cysteine protease	0.0322	0.3211	0.2439
Entamoeba histolytica	cysteine proteinase, putative	0.0322	0.3211	1
Plasmodium vivax	vivapain-2	0.0322	0.3211	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Entamoeba histolytica	cysteine proteinase, putative	0.0322	0.3211	1
Leishmania major	cathepsin L-like protease	0.0322	0.3211	1
Onchocerca volvulus		0.0322	0.3211	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0221	0.1022	0.1022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Echinococcus granulosus	cathepsin l1	0.0221	0.1022	0.1022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Brugia malayi	Cathepsin L-like precursor	0.0322	0.3211	0.3211
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0322	0.3211	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0221	0.1022	0.1022

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1339900

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1253883