TDR Targets

Basic information

Technical information

TDR Targets ID: 1614332
Name: (3,5-dichloro-2-hydroxyphenyl)methylsulfanylm ethanimidamide hydrochloride
MW: 287.594 | Formula: C8H9Cl3N2OS
H donors: 2 H acceptors: 1 LogP: 3.37 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)SCc1cc(Cl)cc(c1O)Cl.Cl
InChi: 1S/C8H8Cl2N2OS.ClH/c9-5-1-4(3-14-8(11)12)7(13)6(10)2-5;/h1-2,13H,3H2,(H3,11,12);1H
InChiKey: NKSRJZFLQHGHOE-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

(3,5-dichloro-2-hydroxy-phenyl)methylsulfanylformamidine hydrochloride
[(3,5-dichloro-2-hydroxyphenyl)methylthio]formamidine hydrochloride
[(3,5-dichloro-2-hydroxy-benzyl)thio]formamidine hydrochloride
(3,5-dichloro-2-hydroxy-phenyl)methylsulfanylmethanimidamide hydrochloride
NSC20878

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	glutamate receptor 2	0.0083	0.0861	0.1063
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0083	0.0861	0.1063
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0083	0.0861	0.1063
Echinococcus granulosus	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Loa Loa (eye worm)	tubulin beta-2A chain	0.0098	0.1365	1
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Giardia lamblia	Beta tubulin	0.0098	0.1365	0.5
Giardia lamblia	Beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.0301	0.8094	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Trichomonas vaginalis	tubulin alpha chain, putative	0.0098	0.1365	0.5
Toxoplasma gondii	beta tubulin	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Trichomonas vaginalis	tubulin beta chain, putative	0.0098	0.1365	0.5
Echinococcus multilocularis	nmda type glutamate receptor	0.0288	0.7674	0.9482
Loa Loa (eye worm)	BEN-1 protein	0.0098	0.1365	1
Echinococcus granulosus	tubulin beta 1 chain	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	tubulin subunit beta	0.0098	0.1365	0.1687
Echinococcus granulosus	beta tubulin	0.0098	0.1365	0.1687
Echinococcus multilocularis	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Echinococcus granulosus	nmda type glutamate receptor	0.0301	0.8094	1
Trichomonas vaginalis	tubulin, putative	0.0098	0.1365	0.5
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Brugia malayi	beta-tubulin, identical	0.0098	0.1365	1
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Entamoeba histolytica	tubulin family protein	0.0098	0.1365	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Echinococcus granulosus	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0098	0.1365	0.1687
Echinococcus granulosus	tubulin subunit beta	0.0098	0.1365	0.1687
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Plasmodium vivax	tubulin beta chain, putative	0.0098	0.1365	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Plasmodium falciparum	tubulin beta chain	0.0098	0.1365	0.5
Trypanosoma brucei	beta tubulin	0.0098	0.1365	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0098	0.1365	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Brugia malayi	Tubulin beta-1 chain	0.0098	0.1365	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0098	0.1365	0.5
Echinococcus granulosus	beta tubulin	0.0098	0.1365	0.1687
Trypanosoma brucei	beta tubulin	0.0098	0.1365	0.5
Trypanosoma brucei	beta tubulin	0.0098	0.1365	0.5
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0083	0.0861	0.1063
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Entamoeba histolytica	tubulin family protein	0.0098	0.1365	0.5
Trypanosoma brucei	beta tubulin	0.0098	0.1365	0.5
Echinococcus granulosus	glutamate receptor NMDA	0.0275	0.7233	0.8937
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0083	0.0861	0.1063
Echinococcus multilocularis	glutamate receptor NMDA	0.0275	0.7233	0.8937
Loa Loa (eye worm)	tubulin beta-4 chain	0.0098	0.1365	1
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Toxoplasma gondii	beta-1 tubulin, putative	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.007	0.0419	0.0518
Echinococcus multilocularis	glutamate receptor 2	0.007	0.0419	0.0518
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0083	0.0861	0.1063
Toxoplasma gondii	beta-tubulin, putative	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Echinococcus multilocularis	beta tubulin	0.0098	0.1365	0.1687
Loa Loa (eye worm)	beta-tubulin	0.0098	0.1365	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.007	0.0419	0.0518
Schistosoma mansoni	tubulin subunit beta	0.0098	0.1365	0.0987
Giardia lamblia	Beta tubulin	0.0098	0.1365	0.5
Echinococcus granulosus	nmda type glutamate receptor	0.0288	0.7674	0.9482
Echinococcus multilocularis	tubulin beta 1 chain	0.0098	0.1365	0.1687
Echinococcus granulosus	tubulin beta 4A class IVa	0.0098	0.1365	0.1687
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0098	0.1365	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0098	0.1365	1
Loa Loa (eye worm)	tubulin beta chain	0.0098	0.1365	1
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	glutamate receptor 2	0.0083	0.0861	0.1063
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0098	0.1365	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0083	0.0861	0.1063
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0083	0.0861	0.1063
Echinococcus multilocularis	Tubulin beta 2C chain	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0083	0.0861	0.1063
Echinococcus multilocularis	beta tubulin	0.0098	0.1365	0.1687
Leishmania major	beta tubulin	0.0098	0.1365	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0098	0.1365	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.493	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)	-5.446	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)	-4.809	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)	-4.805	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)	-4.784	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)	-4.759	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)	-4.754	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
GI50 (functional)	-4.721	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)	-4.711	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)	-4.665	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

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: CHEMBL1978536

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 1614332