TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.293 | Formula: C22H15Cl2N5O
H donors: 2 H acceptors: 4 LogP: 5.37 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(C=NNc2nnc(c(n2)c2ccccc2)c2ccccc2)c(c(c1)Cl)O
InChi: 1S/C22H15Cl2N5O/c23-17-11-16(21(30)18(24)12-17)13-25-28-22-26-19(14-7-3-1-4-8-14)20(27-29-22)15-9-5-2-6-10-15/h1-13,30H,(H,26,28,29)/b25-13+
InChiKey: LOSZFWOHDLPJAT-DHRITJCHSA-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
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0226	0.0821
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0226	0.0821
Loa Loa (eye worm)	ion channel NompC	0.0038	0.0046	0.0643
Loa Loa (eye worm)	ryanodine receptor	0.0038	0.0046	0.0643
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0226	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0183	0.268	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Toxoplasma gondii	PAN domain-containing protein	0.033	0.5336	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0089
Echinococcus multilocularis	casein kinase ii subunit beta	0.0075	0.0717	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0183	0.268	0.5
Toxoplasma gondii	transporter, cation channel family protein	0.0038	0.0046	0.0086
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0226	0.3149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0038	0.0046	0.0643
Brugia malayi	cation channel family protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0038	0.0046	0.0643
Echinococcus multilocularis	tissue type plasminogen activator	0.0055	0.0351	0.0306
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0226	0.3149
Brugia malayi	olfactory channel protein osm-9	0.0038	0.0046	0.0643
Plasmodium falciparum	casein kinase II beta chain	0.0075	0.0717	0.2659
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0038	0.0046	0.0086
Onchocerca volvulus		0.0055	0.0351	0.4894
Loa Loa (eye worm)	TK/ROR protein kinase	0.0055	0.0351	0.4894
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Onchocerca volvulus		0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0089
Giardia lamblia	Casein kinase II beta chain	0.0075	0.0717	0.5
Trichomonas vaginalis	hypothetical protein	0.0183	0.268	1
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0055	0.0351	0.1289
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0587	1	1
Brugia malayi	Protein kinase domain containing protein	0.0055	0.0351	0.4894
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Toxoplasma gondii	transporter, cation channel family protein	0.0038	0.0046	0.0086
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0075	0.0717	1
Toxoplasma gondii	transporter, cation channel family protein	0.0038	0.0046	0.0086
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0226	0.3149
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0226	0.3149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Plasmodium vivax	casein kinase II beta chain, putative	0.0075	0.0717	0.2659
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0075	0.0717	1
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0075	0.0717	0.1344
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Brugia malayi	Transient-receptor-potential like protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0089
Plasmodium falciparum	cysteine repeat modular protein 1	0.0055	0.0351	0.1289
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0183	0.268	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Plasmodium vivax	casein kinase II beta chain, putative	0.0075	0.0717	0.2659
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0226	0.0821
Brugia malayi	hypothetical protein	0.0038	0.0046	0.0643
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0226	0.0821
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0183	0.268	1
Onchocerca volvulus		0.0048	0.0226	0.3149
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0075	0.0717	1
Leishmania major	hypothetical protein, conserved	0.0055	0.0351	0.0306
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0226	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Plasmodium falciparum	casein kinase II beta chain	0.0075	0.0717	0.2659
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0038	0.0046	0.0643
Toxoplasma gondii	hypothetical protein	0.0038	0.0046	0.0086
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0038	0.0046	0.0643
Echinococcus granulosus	tissue type plasminogen activator	0.0055	0.0351	0.0306
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0226	0.0181
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0226	0.0821
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	voltage-gated calcium channel	0.0038	0.0046	0.0643
Loa Loa (eye worm)	calcium channel	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0075	0.0717	1
Brugia malayi	Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Brugia malayi	ion channel NompC	0.0038	0.0046	0.0643
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0075	0.0717	0.0674
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Brugia malayi	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.0038	0.0046	0.0643
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0587	1	1
Brugia malayi	cation channel family protein	0.0038	0.0046	0.0643
Schistosoma mansoni	casein kinase II beta subunit	0.0075	0.0717	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0183	0.268	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0226	0.0821
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0075	0.0717	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0075	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0351	0.4894
Schistosoma mansoni	hypothetical protein	0.0055	0.0351	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0226	0.3149
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0183	0.268	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Loa Loa (eye worm)	voltage-gated potassium channel	0.0038	0.0046	0.0643
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0183	0.268	0.5022
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0038	0.0046	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0046	0.0643
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0075	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0089
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0226	0.0181
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0038	0.0046	0.0643
Loa Loa (eye worm)	Csnk2b protein	0.0075	0.0717	1
Toxoplasma gondii	ck2 beta subunit	0.0075	0.0717	0.1344
Toxoplasma gondii	PAN domain-containing protein	0.033	0.5336	1
Brugia malayi	voltage-dependent calcium channel	0.0038	0.0046	0.0643
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0075	0.0717	1
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0183	0.268	1
Brugia malayi	Csnk2b protein	0.0075	0.0717	1
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0038	0.0046	0.0643
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0038	0.0046	0.0643
Toxoplasma gondii	hypothetical protein	0.0038	0.0046	0.0086
Brugia malayi	Voltage-gated calcium channel, alpha subunit	0.0038	0.0046	0.0643
Echinococcus granulosus	casein kinase ii subunit beta	0.0075	0.0717	0.0674
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0226	0.0821
Toxoplasma gondii	kringle domain-containing protein	0.0055	0.0351	0.0658
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0226	0.0821
Trypanosoma cruzi	hypothetical protein, conserved	0.0055	0.0351	0.4543
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0038	0.0046	0.0643
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0075	0.0717	0.2548
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0226	0.3149
Echinococcus multilocularis	sodium channel protein	0.0587	1	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0038	0.0046	0.0086
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0226	0.0181
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0038	0.0046	0.0643
Loa Loa (eye worm)	voltage-gated potassium channel	0.0038	0.0046	0.0643
Brugia malayi	Kringle domain containing protein	0.0055	0.0351	0.4894

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 838328