TDR Targets

Basic information

Technical information

TDR Targets ID: 1617389
Name: 1-(2-chlorophenyl)-3-[1-[6-[(1Z)-1-[[[(2-chlo rophenyl)amino]-thioxomethyl]hydrazono]ethyl] -2-pyridyl]ethylideneamino]thiourea
MW: 530.496 | Formula: C23H21Cl2N7S2
H donors: 4 H acceptors: 1 LogP: 5.69 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: S=C(Nc1ccccc1Cl)N/N=C(\c1cccc(n1)/C(=N\NC(=S)Nc1ccccc1Cl)/C)/C
InChi: 1S/C23H21Cl2N7S2/c1-14(29-31-22(33)27-20-10-5-3-8-16(20)24)18-12-7-13-19(26-18)15(2)30-32-23(34)28-21-11-6-4-9-17(21)25/h3-13H,1-2H3,(H2,27,31,33)(H2,28,32,34)/b29-14-,30-15-
InChiKey: CUYVBNLACRYKJQ-QKPCRAOOSA-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

AIDS-144943
AIDS144943
Hydrazinecarbothioamide, 2,2'-[2,6-pyridinediyldi(1Z)ethylidyne]bis[N-(2-chlorophenyl)-, (2Z,2'Z)-
NSC668485

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
Brugia malayi	Niemann-Pick C1 protein precursor	0.0108	0.1106	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0173	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0173	0.1565
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Schistosoma mansoni	hypothetical protein	0.0044	0.0386	0.3426
Entamoeba histolytica	hypothetical protein	0.0039	0.0326	0.2949
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0173	0.5
Onchocerca volvulus		0.0037	0.0302	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0173	1
Onchocerca volvulus		0.0037	0.0302	1
Echinococcus multilocularis	protein dispatched 1	0.0053	0.0479	0.0479
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0326	0.0326
Onchocerca volvulus		0.0037	0.0302	1
Echinococcus granulosus	expressed conserved protein	0.0101	0.1032	0.6315
Echinococcus multilocularis	Niemann Pick C1 protein	0.0108	0.1106	0.1106
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0302	0.0466
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0037	0.0302	0.0466
Toxoplasma gondii	PAN domain-containing protein	0.0578	0.6484	1
Toxoplasma gondii	microneme protein MIC17B	0.0037	0.0302	0.0466
Onchocerca volvulus		0.0037	0.0302	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0154	0.1634	0.1634
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0173	1
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0037	0.0302	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0302	0.2025
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Toxoplasma gondii	PAN domain-containing protein	0.0578	0.6484	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0108	0.1106	0.6771
Schistosoma mansoni	patched 1	0.0046	0.0405	0.3595
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0302	0.2025
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0108	0.1106	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0173	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0173	0.1565
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0326	0.2899
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0098	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0173	0.5
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0405	0.2476
Echinococcus multilocularis	protein patched	0.0046	0.0405	0.0405
Onchocerca volvulus		0.0037	0.0302	1
Onchocerca volvulus		0.0037	0.0302	1
Onchocerca volvulus		0.0037	0.0302	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0405	0.0405
Schistosoma mansoni	hypothetical protein	0.0044	0.0386	0.3426
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0098	0.5
Toxoplasma gondii	microneme protein, putative	0.0037	0.0302	0.0466
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0173	1
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0405	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0098	0.139
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0302	0.2025
Schistosoma mansoni	hypothetical protein	0.0044	0.0386	0.3426
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Toxoplasma gondii	microneme protein MIC4	0.0037	0.0302	0.0466
Brugia malayi	hypothetical protein	0.0039	0.0326	0.1641
Toxoplasma gondii	microneme protein MIC17C	0.0037	0.0302	0.0466
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Toxoplasma gondii	subtilisin SUB12	0.0037	0.0302	0.0466
Schistosoma mansoni	hypothetical protein	0.0044	0.0386	0.3426
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0302	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0405	0.3039
Entamoeba histolytica	hypothetical protein	0.0039	0.0326	0.2949
Echinococcus granulosus	Niemann Pick C1 protein	0.0154	0.1634	1
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0302	0.0466
Toxoplasma gondii	hypothetical protein	0.0037	0.0302	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0173	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0523	0.4216
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0173	0.5
Toxoplasma gondii	hypothetical protein	0.0037	0.0302	0.0466
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0326	0.1997
Brugia malayi	PAN domain containing protein	0.0037	0.0302	0.1385
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0405	0.3039
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.1125	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0173	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0173	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0173	0.5
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0302	0.0466
Entamoeba histolytica	hypothetical protein	0.0039	0.0326	0.2949
Brugia malayi	CHE-14 protein	0.0046	0.0405	0.2481
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0098	1
Toxoplasma gondii	microneme protein MIC17A	0.0037	0.0302	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0173	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0173	1
Onchocerca volvulus		0.0037	0.0302	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0173	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1106	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0405	0.2476
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0173	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0173	0.0742
Onchocerca volvulus		0.0037	0.0302	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0173	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0326	0.2899
Toxoplasma gondii	PAN domain-containing protein	0.0037	0.0302	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0173	0.0742
Onchocerca volvulus		0.0037	0.0302	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0037	0.0302	0.2025
Entamoeba histolytica	hypothetical protein	0.0039	0.0326	0.2949
Echinococcus multilocularis	expressed conserved protein	0.0101	0.1032	0.1032
Onchocerca volvulus		0.0037	0.0302	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0302	0.2025

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.908	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.78	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.446	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.357	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.262	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.256	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (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: CHEMBL1972728

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 1617389