TDR Targets

Basic information

Technical information

TDR Targets ID: 1592706
Name: 4-(hydroxymethyl)-N,N-dimethylimidazole-1-sul fonamide
MW: 205.235 | Formula: C6H11N3O3S
H donors: 1 H acceptors: 4 LogP: -1.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OCc1ncn(c1)S(=O)(=O)N(C)C
InChi: 1S/C6H11N3O3S/c1-8(2)13(11,12)9-3-6(4-10)7-5-9/h3,5,10H,4H2,1-2H3
InChiKey: XEMCPJAIPJBKJL-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

4-(hydroxymethyl)-N,N-dimethyl-imidazole-1-sulfonamide
4-(hydroxymethyl)-N,N-dimethyl-1-imidazolesulfonamide
N,N-dimethyl-4-methylol-imidazole-1-sulfonamide
NCI60_036161
NSC700550

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	roundabout 2	0.0091	0.0165	0.027
Echinococcus granulosus	semaphorin 5B	0.029	0.2385	0.3916
Loa Loa (eye worm)	sema domain-containing protein	0.029	0.2385	0.2385
Brugia malayi	hypothetical protein	0.029	0.2385	0.1929
Echinococcus multilocularis	transcription factor collier	0.0127	0.0565	0.0675
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Echinococcus granulosus	exocyst complex component 2	0.0127	0.0565	0.0927
Loa Loa (eye worm)	sema domain-containing protein	0.029	0.2385	0.2385
Onchocerca volvulus	Tyrosine kinase homolog	0.0911	0.931	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0165	0.0165
Schistosoma mansoni	fibrocystin l	0.0127	0.0565	0.1209
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0165	0.0165
Schistosoma mansoni	hypothetical protein	0.0127	0.0565	0.1209
Onchocerca volvulus		0.0495	0.4671	0.3301
Echinococcus granulosus	plexin a4	0.0622	0.6091	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1431	0.3064
Echinococcus multilocularis	semaphorin 5B	0.029	0.2385	0.3747
Brugia malayi	Plexin repeat family protein	0.0495	0.4671	0.4352
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0565	0.0565
Onchocerca volvulus		0.0857	0.8707	0.913
Brugia malayi	hypothetical protein	0.029	0.2385	0.1929
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Schistosoma mansoni	plexin	0.0495	0.4671	1
Brugia malayi	Sema domain containing protein	0.029	0.2385	0.1929
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0127	0.0565	0.5
Schistosoma mansoni	hypothetical protein	0.0127	0.0565	0.1209
Loa Loa (eye worm)	plexin A	0.0622	0.6091	0.6091
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0127	0.0565	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0565	0.0565
Entamoeba histolytica	protein kinase domain containing protein	0.0166	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Echinococcus multilocularis	exocyst complex component 2	0.0127	0.0565	0.0675
Echinococcus multilocularis	hypothetical protein	0.029	0.2385	0.3747
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0973	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Echinococcus granulosus	transcription factor collier	0.0127	0.0565	0.0927
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0127	0.0565	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0127	0.0565	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0565	0.0565
Entamoeba histolytica	tyrosin kinase, putative	0.0166	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Schistosoma mansoni	hypothetical protein	0.029	0.2385	0.5106
Brugia malayi	Sema domain containing protein	0.029	0.2385	0.1929
Loa Loa (eye worm)	hypothetical protein	0.0495	0.4671	0.4671
Schistosoma mansoni	semaphorin 5-related	0.029	0.2385	0.5106
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1431	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0565	0.0565
Schistosoma mansoni	hypothetical protein	0.029	0.2385	0.5106
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Echinococcus multilocularis	plexin a4	0.0622	0.6091	1
Echinococcus granulosus	semaphorin 1A	0.029	0.2385	0.3916
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Schistosoma mansoni	plexin	0.0205	0.1431	0.3064
Trichomonas vaginalis	conserved hypothetical protein	0.0127	0.0565	0.5
Loa Loa (eye worm)	hypothetical protein	0.029	0.2385	0.2385
Brugia malayi	plexin A	0.0622	0.6091	0.5857

Activities

Activity type	Activity value	Assay description	Source	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 NCI-H23 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 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 UO-31 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 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 SF-539 Central Nervous System 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 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: CHEMBL1978235

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 1592706