TDR Targets

Basic information

Technical information

TDR Targets ID: 1257293
Name: AP-501/41741020
MW: 340.83 | Formula: C17H13ClN4S
H donors: 0 H acceptors: 3 LogP: 4.87 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1nn2c(s1)nnc2Cc1ccccc1C
InChi: 1S/C17H13ClN4S/c1-11-4-2-3-5-13(11)10-15-19-20-17-22(15)21-16(23-17)12-6-8-14(18)9-7-12/h2-9H,10H2,1H3
InChiKey: POXPLQJREZUVOY-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

ZINC00384960

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	protein jagged 1	0.0043	0.0162	0.0162
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Onchocerca volvulus		0.0043	0.0162	0.051
Trichomonas vaginalis	AGC family protein kinase	0.0099	0.148	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0172	0.317	1
Entamoeba histolytica	protein kinase, putative	0.0099	0.148	0.5
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0043	0.0162	0.051
Onchocerca volvulus		0.0043	0.0162	0.051
Loa Loa (eye worm)	animal heme peroxidase	0.0172	0.317	0.6693
Echinococcus multilocularis	neuropeptide receptor A26	0.0464	1	1
Onchocerca volvulus		0.0043	0.0162	0.051
Brugia malayi	Animal haem peroxidase family protein	0.0172	0.317	0.6808
Giardia lamblia	High cysteine protein	0.0043	0.0162	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0172	0.317	0.6693
Echinococcus multilocularis	neurogenic locus protein delta	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Echinococcus granulosus	peroxidasin	0.0172	0.317	0.317
Echinococcus multilocularis	notch	0.0043	0.0162	0.0162
Brugia malayi	PAS domain containing protein	0.0048	0.0294	0.0631
Onchocerca volvulus	Neurogenic locus notch homolog	0.0043	0.0162	0.051
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0099	0.148	0.148
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0099	0.148	0.148
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2956	0.6217
Onchocerca volvulus	Dual oxidase homolog	0.0172	0.317	1
Echinococcus granulosus	slit 2 protein	0.0043	0.0162	0.0162
Echinococcus granulosus	fibropellin Ia	0.0043	0.0162	0.0162
Brugia malayi	Peroxidasin	0.0172	0.317	0.6808
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0235	0.4655	1
Brugia malayi	Blistered cuticle protein 3	0.0172	0.317	0.6808
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Onchocerca volvulus	Peroxidase homolog	0.0172	0.317	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Loa Loa (eye worm)	blistered cuticle protein 3	0.0172	0.317	0.6693
Echinococcus multilocularis	neurogenic locus protein delta	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Echinococcus multilocularis	neural cadherin	0.0043	0.0162	0.0162
Onchocerca volvulus		0.0172	0.317	1
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Brugia malayi	hypothetical protein	0.0162	0.2956	0.6349
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Onchocerca volvulus	Putative cubilin	0.0043	0.0162	0.051
Echinococcus granulosus	neurogenic locus protein delta	0.0043	0.0162	0.0162
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0162	0.0347
Echinococcus multilocularis	peroxidasin	0.0172	0.317	0.317
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0099	0.148	0.2934
Echinococcus granulosus	neuropeptide receptor A26	0.0464	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.148	0.4384
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0099	0.148	0.2934
Brugia malayi	Cadherin domain containing protein	0.0043	0.0162	0.0347
Onchocerca volvulus		0.0043	0.0162	0.051
Brugia malayi	hypoxia-induced factor 1	0.015	0.2662	0.5718
Schistosoma mansoni	peroxidasin	0.0172	0.317	1
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Trichomonas vaginalis	AGC family protein kinase	0.0099	0.148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Loa Loa (eye worm)	animal heme peroxidase	0.0172	0.317	0.6693
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Schistosoma mansoni	peroxidasin	0.0172	0.317	1
Brugia malayi	Muscle positioning protein 4	0.0043	0.0162	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Echinococcus multilocularis	neurogenic locus notch protein	0.0043	0.0162	0.0162
Echinococcus multilocularis	slit 2 protein	0.0043	0.0162	0.0162
Toxoplasma gondii	EGF family domain-containing protein	0.0043	0.0162	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0464	1	1
Echinococcus granulosus	protein jagged 1	0.0043	0.0162	0.0162
Trichomonas vaginalis	AGC family protein kinase	0.0099	0.148	0.5
Brugia malayi	hypothetical protein	0.0172	0.317	0.6808
Brugia malayi	Protein kinase domain containing protein	0.0099	0.148	0.318
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Onchocerca volvulus	Slit protein homolog	0.0043	0.0162	0.051
Mycobacterium ulcerans	putative regulatory protein	0.0036	0	0.5
Echinococcus granulosus	neural cadherin	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypoxia-induced factor 1	0.015	0.2662	0.5564
Onchocerca volvulus	Peroxidasin homolog	0.0172	0.317	1
Echinococcus granulosus	delta-like protein 1	0.0043	0.0162	0.0162
Brugia malayi	Animal haem peroxidase family protein	0.0172	0.317	0.6808
Brugia malayi	Cadherin domain containing protein	0.0043	0.0162	0.0347
Echinococcus granulosus	neurogenic locus notch protein	0.0043	0.0162	0.0162
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0162	0.0347
Schistosoma mansoni	single-minded	0.0048	0.0294	0.0439
Brugia malayi	Animal haem peroxidase family protein	0.0172	0.317	0.6808
Echinococcus granulosus	protein jagged 2	0.0043	0.0162	0.0162
Brugia malayi	Animal haem peroxidase family protein	0.0172	0.317	0.6808
Echinococcus granulosus	protein jagged 2	0.0043	0.0162	0.0162
Echinococcus multilocularis	fibropellin Ia	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0043	0.0162	0.0347
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.0294	0.0439
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0043	0.0162	0.0162
Onchocerca volvulus		0.0043	0.0162	0.051
Onchocerca volvulus		0.0172	0.317	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0043	0.0162	0.0347
Loa Loa (eye worm)	animal heme peroxidase	0.0172	0.317	0.6693
Echinococcus granulosus	neurogenic locus notch protein 4	0.0043	0.0162	0.0162
Echinococcus granulosus	neurogenic locus notch protein	0.0043	0.0162	0.0162
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0099	0.148	0.318
Echinococcus granulosus	notch	0.0043	0.0162	0.0162
Onchocerca volvulus		0.0172	0.317	1
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Onchocerca volvulus	Chorion peroxidase homolog	0.0172	0.317	1
Brugia malayi	follicle stimulating hormone receptor	0.0235	0.4655	1
Brugia malayi	Animal haem peroxidase family protein	0.0172	0.317	0.6808
Onchocerca volvulus	Peroxidase homolog	0.0172	0.317	1
Echinococcus multilocularis	protein jagged 2	0.0043	0.0162	0.0162
Echinococcus multilocularis	neurogenic locus notch protein	0.0043	0.0162	0.0162
Brugia malayi	EGF-like domain containing protein	0.0043	0.0162	0.0347
Brugia malayi	Delta serrate ligand family protein	0.0043	0.0162	0.0347
Echinococcus multilocularis	protein jagged 1	0.0043	0.0162	0.0162
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Echinococcus multilocularis	protein jagged 1	0.0043	0.0162	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0172	0.317	0.6693
Brugia malayi	notch-like transmembrane receptor	0.0043	0.0162	0.0347
Brugia malayi	GCC2 and GCC3 family protein	0.0043	0.0162	0.0347

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 100 uM	Antileishmanial activity Leishmania major V121 amastigotes	ChEMBL.	20160053

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: CHEMBL1256802

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 1257293