TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 451.584 | Formula: C24H29N5O2S
H donors: 1 H acceptors: 4 LogP: 2.46 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1nn(c(c1)C(=O)N1CCc2c(C1)cnc(c2CNC(=O)Cc1cscc1)C)C
InChi: 1S/C24H29N5O2S/c1-4-5-19-11-22(28(3)27-19)24(31)29-8-6-20-18(14-29)12-25-16(2)21(20)13-26-23(30)10-17-7-9-32-15-17/h7,9,11-12,15H,4-6,8,10,13-14H2,1-3H3,(H,26,30)
InChiKey: OUGAGKFYWLPHIP-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

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
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0077	0.0386	0.0936
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0253	0.2617	0.6949
Brugia malayi	RNA binding protein	0.0063	0.0208	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0238	0.0577
Onchocerca volvulus	Cathepsin F homolog	0.0066	0.0238	0.3938
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.0238	0.3938
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0208	0.0553
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.0238	1
Echinococcus granulosus	cathepsin l1	0.0066	0.0238	0.0577
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0118	0.0902	0.0879
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0095	0.0605	0.1792
Toxoplasma gondii	cathepsin B	0.011	0.0803	1
Leishmania major	cathepsin L-like protease	0.0162	0.1461	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0066	0.0238	0.0577
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0049	0.0025	0.0075
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.0238	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.011	0.0803	0.2131
Plasmodium vivax	vivapain-2	0.0066	0.0238	0.5
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0208	0.0505
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Loa Loa (eye worm)	glutamate receptor	0.0302	0.324	0.7851
Onchocerca volvulus		0.0095	0.0605	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Schistosoma mansoni	lipoxygenase	0.0083	0.0451	0.1197
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0118	0.0902	0.2186
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0253	0.2617	0.2598
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0066	0.0238	0.0577
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0313	0.3376	0.8963
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0372	0.4127	0.4112
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0208	0.0553
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0077	0.0386	0.0936
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0095	0.0605	0.1792
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	0.3376	0.8963
Entamoeba histolytica	cysteine protease, putative	0.0066	0.0238	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.1461	0.3899
Onchocerca volvulus		0.0095	0.0605	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Loa Loa (eye worm)	ctsf protein	0.0066	0.0238	0.0577
Loa Loa (eye worm)	cathepsin B	0.011	0.0803	0.1945
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0095	0.0605	0.1792
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.0238	0.0633
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Onchocerca volvulus		0.0095	0.0605	1
Echinococcus multilocularis	cathepsin b	0.0313	0.3376	0.3359
Brugia malayi	metabotropic glutamate receptor type 2	0.0147	0.1273	0.3771
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.0238	0.2968
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0372	0.4127	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.0238	0.0213
Onchocerca volvulus		0.0066	0.0238	0.3938
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0066	0.0238	0.5
Loa Loa (eye worm)	hypothetical protein	0.0313	0.3376	0.818
Onchocerca volvulus	Cathepsin L homolog	0.0066	0.0238	0.3938
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Schistosoma mansoni	tyrosinase precursor	0.0095	0.0605	0.1606
Echinococcus multilocularis	cathepsin L cysteine protease	0.0066	0.0238	0.0213
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.011	0.0803	0.1799
Onchocerca volvulus		0.0066	0.0238	0.3938
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.0238	0.0633
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0208	0.0505
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Schistosoma mansoni	tyrosinase precursor	0.0095	0.0605	0.1606
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0037	0.0108
Echinococcus granulosus	GPCR family 3 C terminal	0.0049	0.0025	0.0061
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0208	0.0183
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0066	0.0238	0.2968
Leishmania major	cathepsin L-like protease	0.0162	0.1461	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0025	0.0061
Onchocerca volvulus		0.0066	0.0238	0.3938
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Giardia lamblia	Cathepsin B precursor	0.011	0.0803	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Loa Loa (eye worm)	hypothetical protein	0.0372	0.4127	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0025	0.0067
Brugia malayi	Papain family cysteine protease containing protein	0.0066	0.0238	0.0706
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	0.3376	0.8963
Plasmodium vivax	vivapain-2	0.0066	0.0238	0.5
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Loa Loa (eye worm)	fibroinase	0.0066	0.0238	0.0577
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0066	0.0238	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0208	0.0553
Loa Loa (eye worm)	ShTK domain-containing protein	0.0095	0.0605	0.1466
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0344	0.3766	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.1461	0.3899
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0208	0.0553
Loa Loa (eye worm)	tyrosinase 1	0.0095	0.0605	0.1466
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Schistosoma mansoni	metabotropic glutamate receptor	0.0147	0.1273	0.338
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	0.3376	0.8963
Trypanosoma cruzi	major cysteine proteinase, putative	0.0116	0.0874	0.2026
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0066	0.0238	0.0577
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.011	0.0803	0.4615
Onchocerca volvulus		0.0066	0.0238	0.3938
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0208	0.0553
Echinococcus granulosus	cathepsin b	0.0313	0.3376	0.818
Echinococcus multilocularis	cathepsin b	0.0313	0.3376	0.3359
Loa Loa (eye worm)	hypothetical protein	0.005	0.0037	0.0089
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0208	0.0617
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0095	0.0605	0.1792
Onchocerca volvulus	Poor gastrulation protein homolog	0.0049	0.0025	0.0418
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0066	0.0238	0.5
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0208	0.0505
Brugia malayi	cathepsin B-like cysteine proteinase	0.0313	0.3376	1
Giardia lamblia	Cathepsin B precursor	0.011	0.0803	0.5
Echinococcus multilocularis	cysteine protease	0.0066	0.0238	0.0213
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.0238	0.0213
Echinococcus multilocularis	cysteine protease	0.0066	0.0238	0.0213
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.011	0.0803	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Onchocerca volvulus		0.0066	0.0238	0.3938
Giardia lamblia	Cathepsin B precursor	0.011	0.0803	0.5
Brugia malayi	ShTK domain containing protein	0.0095	0.0605	0.1792
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0208	0.0505
Echinococcus granulosus	cathepsin b	0.0313	0.3376	0.818
Loa Loa (eye worm)	glutamate receptor	0.0119	0.0912	0.221
Brugia malayi	Receptor family ligand binding region containing protein	0.0077	0.0386	0.1144
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0302	0.324	0.9598
Loa Loa (eye worm)	cysteine protease	0.0066	0.0238	0.0577
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0274	0.2879	0.8529
Onchocerca volvulus		0.0095	0.0605	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0143	0.1223	0.314
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0066	0.0238	0.0577
Schistosoma mansoni	lipoxygenase	0.0118	0.0902	0.2396
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0049	0.0025	0.0418
Onchocerca volvulus		0.0066	0.0238	0.3938
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0037	0.0089
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.1461	0.3899
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0313	0.3376	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Loa Loa (eye worm)	ShTK domain-containing protein	0.0095	0.0605	0.1466
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0386	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0605	0.1466
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0066	0.0238	0.2968
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0253	0.2617	0.6342
Onchocerca volvulus		0.0066	0.0238	0.3938
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0037	0.0108
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0238	0.0706
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.1461	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0238	0.2968
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0066	0.0238	0.0213
Brugia malayi	TAR-binding protein	0.0063	0.0208	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0605	0.1466
Trypanosoma cruzi	cruzipain precursor, putative	0.0162	0.1461	0.3899
Leishmania major	cathepsin L-like protease	0.0162	0.1461	1
Brugia malayi	Common central domain of tyrosinase family protein	0.0095	0.0605	0.1792

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 816113