TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.001 | Formula: C26H30ClN5O3
H donors: 1 H acceptors: 4 LogP: 3.56 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nn(c(c1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)C(Oc1cccc(c1)Cl)C)C
InChi: 1S/C26H30ClN5O3/c1-5-20-12-24(31(4)30-20)25(33)29-14-23-16(2)28-13-18-15-32(10-9-22(18)23)26(34)17(3)35-21-8-6-7-19(27)11-21/h6-8,11-13,17H,5,9-10,14-15H2,1-4H3,(H,29,33)
InChiKey: ZSCRYVVTQAHNFB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0147	0.0147
Plasmodium falciparum	plasmepsin X	0.0399	0.1451	0.2755
Loa Loa (eye worm)	PAN domain-containing protein	0.0075	0.0113	0.0113
Echinococcus granulosus	Mastin	0.0129	0.0338	0.2214
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0129	0.0338	0.2214
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Echinococcus granulosus	glycoprotein Antigen 5	0.0129	0.0338	0.2214
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Onchocerca volvulus		0.0075	0.0113	0.0542
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0274	0.0937	0.6667
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Brugia malayi	Trypsin family protein	0.0129	0.0338	0.0314
Onchocerca volvulus		0.0075	0.0113	0.0542
Plasmodium falciparum	plasmepsin I	0.0274	0.0937	0.1338
Echinococcus granulosus	transmembrane protease serine 3	0.0129	0.0338	0.2214
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0129	0.0338	0.2214
Echinococcus granulosus	integrin alpha ps	0.0067	0.0083	0.0315
Loa Loa (eye worm)	integrin alpha pat-2	0.0232	0.076	0.076
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0338	0.0338
Schistosoma mansoni	caspase-7 (C14 family)	0.0057	0.0041	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0274	0.0274
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0383	0.1385	0.2572
Loa Loa (eye worm)	integrin beta-2	0.0308	0.1074	0.1074
Brugia malayi	hypothetical protein	0.0129	0.0338	0.0314
Brugia malayi	Kringle domain containing protein	0.0383	0.1385	0.1363
Echinococcus multilocularis	integrin alpha 3	0.0115	0.028	0.1782
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0274	0.0937	0.2479
Brugia malayi	Trypsin-like protease protein 5	0.0129	0.0338	0.0314
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Onchocerca volvulus		0.0129	0.0338	0.2214
Brugia malayi	Cell death protein 3 precursor	0.0057	0.0041	0.0016
Echinococcus multilocularis	tissue type plasminogen activator	0.0383	0.1385	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0129	0.0338	0.2214
Onchocerca volvulus		0.0129	0.0338	0.2214
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0075	0.0113	0.0542
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.0025	0.0025
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0157	0.0451	0.0451
Schistosoma mansoni	integrin alpha	0.015	0.0425	0.1205
Loa Loa (eye worm)	PAN domain-containing protein	0.0075	0.0113	0.0113
Echinococcus multilocularis	calpain A	0.0059	0.0049	0.0063
Plasmodium falciparum	plasmepsin IV	0.0274	0.0937	0.1338
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.2214
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0075	0.0113	0.0542
Loa Loa (eye worm)	trypsin family protein	0.0129	0.0338	0.0338
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0114	0.0274	0.025
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0059	0.0048	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0451	0.0451
Onchocerca volvulus		0.0075	0.0113	0.0542
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Schistosoma mansoni	hypothetical protein	0.0129	0.0338	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0274	0.0937	0.0937
Echinococcus granulosus	calpain A	0.0059	0.0049	0.0063
Toxoplasma gondii	kringle domain-containing protein	0.0383	0.1385	0.3828
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Schistosoma mansoni	integrin beta subunit	0.0181	0.0553	0.159
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0075	0.0113	0.0542
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Loa Loa (eye worm)	TK/ROR protein kinase	0.0383	0.1385	0.1385
Plasmodium vivax	aspartyl protease, putative	0.0399	0.1451	0.2755
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0219	0.071	0.071
Onchocerca volvulus		0.0157	0.0451	0.3054
Schistosoma mansoni	memapsin-2 (A01 family)	0.0157	0.0451	0.1285
Onchocerca volvulus		0.0129	0.0338	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Plasmodium vivax	aspartyl proteinase, putative	0.0274	0.0937	0.1338
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Onchocerca volvulus		0.0075	0.0113	0.0542
Onchocerca volvulus		0.0075	0.0113	0.0542
Onchocerca volvulus		0.0157	0.0451	0.3054
Plasmodium falciparum	plasmepsin VI	0.0274	0.0937	0.1338
Brugia malayi	Trypsin family protein	0.0129	0.0338	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0338	0.0338
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0338	0.0338
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Brugia malayi	Protein kinase domain containing protein	0.0383	0.1385	0.1363
Brugia malayi	Pepsin A precursor	0.0157	0.0451	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0219	0.071	0.071
Plasmodium falciparum	cysteine repeat modular protein 1	0.0383	0.1385	0.2572
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0059	0.0048	0.0056
Onchocerca volvulus		0.0219	0.071	0.4977
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0157	0.0451	0.1017
Brugia malayi	hypothetical protein	0.0157	0.0451	0.0427
Plasmodium falciparum	plasmepsin II	0.0274	0.0937	0.1338
Echinococcus multilocularis	integrin beta 2	0.0228	0.0745	0.5243
Schistosoma mansoni	hypothetical protein	0.0383	0.1385	0.4099
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Leishmania major	hypothetical protein, conserved	0.0383	0.1385	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.2473	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Loa Loa (eye worm)	PAN domain-containing protein	0.0075	0.0113	0.0113
Onchocerca volvulus		0.0075	0.0113	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0025	0.0025
Echinococcus granulosus	integrin alpha 3	0.0115	0.028	0.1782
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3343	1
Loa Loa (eye worm)	aspartyl protease 6	0.0157	0.0451	0.0451
Toxoplasma gondii	aspartyl protease	0.0157	0.0451	0.1017
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0129	0.0338	0.2214
Brugia malayi	hypothetical protein	0.0157	0.0451	0.0427
Onchocerca volvulus		0.009	0.0176	0.1011
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0451	0.1285
Echinococcus granulosus	enteropeptidase	0.0129	0.0338	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.0944
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0274	0.0937	0.0937
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Schistosoma mansoni	hypothetical protein	0.0129	0.0338	0.0944
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0274	0.0937	0.2748
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0041	0.0041
Echinococcus multilocularis	Mastin	0.0129	0.0338	0.2214
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0129	0.0338	0.2214
Schistosoma mansoni	cercarial elastase (S01 family)	0.0129	0.0338	0.0944
Brugia malayi	Integrin alpha pat-2 precursor	0.015	0.0425	0.0401
Echinococcus granulosus	integrin beta 2	0.0228	0.0745	0.5243
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0157	0.0451	0.0427
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0129	0.0338	0.0314
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3343	1
Toxoplasma gondii	aspartyl protease ASP1	0.0274	0.0937	0.2479
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0219	0.071	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0338	0.0338
Echinococcus multilocularis	glycoprotein Antigen 5	0.0129	0.0338	0.2214
Plasmodium vivax	plasmepsin IV, putative	0.0274	0.0937	0.1338
Trypanosoma cruzi	hypothetical protein, conserved	0.0383	0.1385	0.5
Plasmodium falciparum	plasmepsin V	0.1037	0.4081	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0219	0.071	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Mycobacterium ulcerans	hypothetical protein	0.0129	0.0338	0.5
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0274	0.0937	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0048	0.007
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0129	0.0338	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0113	0.0113
Plasmodium vivax	plasmepsin V, putative	0.1037	0.4081	1
Plasmodium vivax	aspartyl protease, putative	0.0399	0.1451	0.2755
Toxoplasma gondii	aspartyl protease ASP5	0.088	0.3435	1
Brugia malayi	aspartic protease BmAsp-1, identical	0.0157	0.0451	0.0427
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0083	0.0315
Onchocerca volvulus		0.0383	0.1385	1
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0083	0.0315
Brugia malayi	Trypsin family protein	0.0129	0.0338	0.0314
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.0944
Toxoplasma gondii	aspartyl protease ASP3	0.0399	0.1451	0.4027
Echinococcus multilocularis	enteropeptidase	0.0129	0.0338	0.2214
Loa Loa (eye worm)	PAN domain-containing protein	0.0075	0.0113	0.0113
Brugia malayi	PAN domain containing protein	0.0075	0.0113	0.0089
Brugia malayi	aspartic protease BmAsp-2, identical	0.0157	0.0451	0.0427
Brugia malayi	Integrin beta pat-3 precursor	0.0308	0.1074	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0292	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0129	0.0338	0.0944
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0048	0.007
Onchocerca volvulus		0.0075	0.0113	0.0542
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0129	0.0338	0.2214
Brugia malayi	Trypsin family protein	0.0219	0.071	0.0686
Echinococcus granulosus	tissue type plasminogen activator	0.0383	0.1385	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0338	0.0338
Loa Loa (eye worm)	PAN domain-containing protein	0.0075	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0383	0.1385	0.1385
Schistosoma mansoni	integrin alpha-ps	0.0067	0.0083	0.0175
Onchocerca volvulus		0.0075	0.0113	0.0542
Plasmodium falciparum	plasmepsin IX	0.0399	0.1451	0.2755
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0274	0.0937	0.6667

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

Search by Saint Jude

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 821043