TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 486.671 | Formula: C29H34N4OS
H donors: 1 H acceptors: 2 LogP: 6.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC[C@H]1C(=N)N)c1ccc(cc1)c1scc(n1)c1cccc(c1)CCC1CCCCC1
InChi: 1S/C29H34N4OS/c30-27(31)26-10-5-17-33(26)29(34)23-15-13-22(14-16-23)28-32-25(19-35-28)24-9-4-8-21(18-24)12-11-20-6-2-1-3-7-20/h4,8-9,13-16,18-20,26H,1-3,5-7,10-12,17H2,(H3,30,31)/t26-/m0/s1
InChiKey: BEYTTYDFZPKWHV-SANMLTNESA-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

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
Echinococcus granulosus	cathepsin b	0.0736	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0145	0.1443	0.1443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0736	1	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0058	0.0175	0.0175
Onchocerca volvulus		0.0104	0.085	0.5891
Trypanosoma cruzi	cruzipain precursor, putative	0.0294	0.3602	0.3213
Loa Loa (eye worm)	calpain family protein 1	0.0055	0.0139	0.0139
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0145	0.1443	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0104	0.085	0.085
Plasmodium vivax	vivapain-2	0.0145	0.1443	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0058	0.0175	0.0175
Trypanosoma cruzi	major cysteine proteinase, putative	0.0193	0.214	0.1662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Toxoplasma gondii	cathepsin B	0.0258	0.3079	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0085	0.0573	0.3974
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0736	1	1
Echinococcus granulosus	cysteine protease	0.0085	0.0573	0.0573
Echinococcus granulosus	cathepsin b	0.0736	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0085	0.0573	0.0573
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0104	0.085	0.1104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Echinococcus multilocularis	calpain A	0.0058	0.0175	0.0175
Onchocerca volvulus	Cathepsin L homolog	0.0145	0.1443	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0058	0.0175	0.0175
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0104	0.085	0.085
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Schistosoma mansoni	lipoxygenase	0.0191	0.2101	0.2101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0258	0.3079	0.3079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Onchocerca volvulus		0.0145	0.1443	1
Onchocerca volvulus		0.0145	0.1443	1
Entamoeba histolytica	cysteine proteinase, putative	0.0145	0.1443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0104	0.085	0.1104
Entamoeba histolytica	cysteine proteinase, putative	0.0104	0.085	0.3182
Onchocerca volvulus		0.0145	0.1443	1
Schistosoma mansoni	lipoxygenase	0.0273	0.3289	0.3289
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0104	0.085	0.085
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0145	0.1443	0.1443
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0293	0.3578	0.3578
Schistosoma mansoni	cathepsin F (C01 family)	0.0145	0.1443	0.1443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0258	0.3079	1
Giardia lamblia	Cathepsin B precursor	0.0258	0.3079	0.5
Loa Loa (eye worm)	fibroinase	0.0145	0.1443	0.1443
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0253	0.3009	0.2584
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Brugia malayi	Papain family cysteine protease containing protein	0.0145	0.1443	0.1443
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0085	0.0573	0.0573
Echinococcus multilocularis	cysteine protease	0.0145	0.1443	0.1443
Trypanosoma cruzi	cysteine peptidase, putative	0.0145	0.1443	0.0922
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Plasmodium vivax	vivapain-2	0.0145	0.1443	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0145	0.1443	0.3469
Leishmania major	cathepsin L-like protease	0.0294	0.3602	1
Brugia malayi	Cathepsin L-like precursor	0.0104	0.085	0.085
Loa Loa (eye worm)	hypothetical protein	0.0104	0.085	0.085
Brugia malayi	Papain family cysteine protease containing protein	0.0085	0.0573	0.0573
Onchocerca volvulus	Cathepsin F homolog	0.0145	0.1443	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0258	0.3079	0.7579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0145	0.1443	0.1443
Onchocerca volvulus		0.0145	0.1443	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0273	0.3289	0.3289
Entamoeba histolytica	cysteine protease, putative	0.0145	0.1443	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0273	0.3289	0.3289
Echinococcus multilocularis	cathepsin L cysteine protease	0.0145	0.1443	0.1443
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.3602	0.3213
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0145	0.1443	0.3469
Loa Loa (eye worm)	hypothetical protein	0.0736	1	1
Brugia malayi	calpain family protein 1	0.0055	0.0139	0.0139
Plasmodium vivax	unspecified product	0.0085	0.0573	0.3974
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Loa Loa (eye worm)	cathepsin B	0.0258	0.3079	0.3079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Echinococcus granulosus	calpain A	0.0058	0.0175	0.0175
Brugia malayi	cathepsin L-like precursor	0.0104	0.085	0.085
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Echinococcus multilocularis	cathepsin b	0.0736	1	1
Onchocerca volvulus		0.0145	0.1443	1
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Echinococcus granulosus	cathepsin L	0.0085	0.0573	0.0573
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0736	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0736	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0145	0.1443	0.1443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0258	0.3079	0.8274
Plasmodium vivax	vivapain-3	0.0085	0.0573	0.3974
Leishmania major	cathepsin L-like protease	0.0294	0.3602	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0145	0.1443	0.1443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Echinococcus granulosus	cathepsin l1	0.0145	0.1443	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1443	0.1443
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0058	0.0175	0.0175
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0145	0.1443	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0145	0.1443	0.1443
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0736	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0293	0.3578	0.3578
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.0139	0.0139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0145	0.1443	1
Echinococcus granulosus	cathepsin l1	0.0104	0.085	0.085
Onchocerca volvulus	Cathepsin L homolog	0.0145	0.1443	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0048	0.0048
Loa Loa (eye worm)	ctsf protein	0.0145	0.1443	0.1443
Echinococcus granulosus	cathepsin L cysteine protease	0.0085	0.0573	0.0573
Brugia malayi	Cathepsin L-like precursor	0.0104	0.085	0.085
Onchocerca volvulus		0.0145	0.1443	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.3602	0.3213
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0085	0.0573	0.0573
Plasmodium vivax	vivapain-1	0.0085	0.0573	0.3974
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0145	0.1443	0.1443
Loa Loa (eye worm)	cysteine protease	0.0145	0.1443	0.1443
Brugia malayi	calpain family protein 1	0.0055	0.0139	0.0139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Brugia malayi	Papain family cysteine protease containing protein	0.0085	0.0573	0.0573
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.3602	0.3213
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Echinococcus multilocularis	cysteine protease	0.0145	0.1443	0.1443
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0258	0.3079	0.2658
Schistosoma mansoni	cathepsin F (C01 family)	0.0104	0.085	0.085
Entamoeba histolytica	cysteine proteinase, putative	0.0145	0.1443	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0294	0.3602	1
Leishmania major	cathepsin L-like protease	0.0294	0.3602	1
Onchocerca volvulus		0.0145	0.1443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0145	0.1443	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0145	0.1443	0.3469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Brugia malayi	Cathepsin L-like precursor	0.0145	0.1443	0.1443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0145	0.1443	0.3469
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0139	0.0139
Echinococcus multilocularis	cathepsin L	0.0085	0.0573	0.0573
Echinococcus multilocularis	cathepsin b	0.0736	1	1
Giardia lamblia	Cathepsin B precursor	0.0258	0.3079	0.5
Giardia lamblia	Cathepsin B precursor	0.0258	0.3079	0.5

Activities

No activities found for this compound.

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: CHEMBL1789803

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1571373