TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.701 | Formula: C14H9ClN4
H donors: 0 H acceptors: 4 LogP: 2.11 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1cnnc(n1)c1ccccn1
InChi: 1S/C14H9ClN4/c15-11-6-4-10(5-7-11)13-9-17-19-14(18-13)12-3-1-2-8-16-12/h1-9H
InChiKey: HETGXEXWDYUUPS-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0313	0.0553
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0151	0.0462
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0236	0.0236
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0236	0.0236
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0151	0.0151
Loa Loa (eye worm)	MBCTL1	0.0066	0.0236	0.0292
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0353	0.1078
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0353	0.1078
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0059	0.0059
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0353	0.0693
Brugia malayi	TAR-binding protein	0.0076	0.0353	0.3726
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0515	0.157
Schistosoma mansoni	sodium/calcium exchanger	0.033	0.3066	0.9355
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0353	0.0906
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0174	0.0531
Brugia malayi	mbt repeat family protein	0.0058	0.0151	0.1596
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0151	0.0388
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0353	0.1078
Brugia malayi	mbt repeat family protein	0.0058	0.0151	0.1596
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0353	0.0353
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0353	0.0693
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0151	0.0462
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1961	0.5034
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0948	0.2733
Loa Loa (eye worm)	hypothetical protein	0.006	0.0181	0.0101
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.0768	0.0768
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0353	0.0693
Schistosoma mansoni	hypothetical protein	0.035	0.3278	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0058	0.0158	0.5
Loa Loa (eye worm)	solute carrier family 8	0.033	0.3066	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0353	0.1078
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0151	0.0462
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0058	0.0158	0.5
Echinococcus granulosus	sodium calcium exchanger	0.033	0.3066	0.787
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0236	0.2494
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0236	0.0721
Brugia malayi	RNA binding protein	0.0076	0.0353	0.3726
Brugia malayi	Sodium/calcium exchanger protein	0.0132	0.0948	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0353	0.1078
Echinococcus multilocularis	sodium calcium exchanger	0.033	0.3066	0.3066
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0059	0.0152
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0236	0.0607
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0236	0.0607
Echinococcus multilocularis	tumor protein p63	0.0408	0.3896	0.3896
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0151	0.0151
Echinococcus granulosus	tumor protein p63	0.0408	0.3896	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0236	0.0292
Brugia malayi	jmjC domain containing protein	0.0115	0.0768	0.81
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0151	0.0388
Onchocerca volvulus		0.006	0.0174	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0174	0.0078
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.0768	0.1971
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1961	0.1961
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0353	0.3726

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	14.152 uM	PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]	ChEMBL.	No reference
Potency (functional)	2.5119 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	5.8024 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	14.0684 uM	PubChem BioAssay. qHTS for small molecules that induce genotoxicity in ELG1 expressing cells: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1522720

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 1395504