TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 330.405 | Formula: C16H18N4O2S
H donors: 3 H acceptors: 3 LogP: 2.28 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Nc1[nH]cc(n1)CCCNS(=O)(=O)c1ccc2c(c1)cccc2
InChi: 1S/C16H18N4O2S/c17-16-18-11-14(20-16)6-3-9-19-23(21,22)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11,19H,3,6,9H2,(H3,17,18,20)
InChiKey: HRVNWHBUIHHQDL-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

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
Loa Loa (eye worm)	hypothetical protein	0.0039	0.6057	0.6057
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.3465	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.6532	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.3465	0.5305
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.1967	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.3465	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.3465	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1967	0.1967
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.1482	0.2269
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.3465	1
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.3465	1
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0011	0	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.6532	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.3465	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1967	0.1967
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0011	0	0.5
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0011	0	0.5
Entamoeba histolytica	hypothetical protein	0.0041	0.6532	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1967	0.1967
Echinococcus multilocularis	GPCR, family 2	0.0018	0.1482	0.2269
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0011	0	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.3465	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.3465	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.1482	0.2269
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.3465	0.3465
Brugia malayi	hypothetical protein	0.0041	0.6532	0.6532
Onchocerca volvulus		0.0027	0.3465	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.3465	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.0011	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.3465	0.3465
Schistosoma mansoni	hypothetical protein	0.0039	0.6057	0.9273
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.1482	0.1482
Mycobacterium ulcerans	hypothetical protein	0.0027	0.3465	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.1482	0.2269
Schistosoma mansoni	hypothetical protein	0.0041	0.6532	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.1967	0.5677
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.1967	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.3465	0.3465
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.3465	0.3465
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0	0.5
Echinococcus granulosus	GPCR family 2	0.0018	0.1482	0.2269
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	1	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0011	0	0.5
Toxoplasma gondii	ATPase, AAA family protein	0.0011	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.1482	0.2269
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.3465	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.3465	0.5305
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.1482	0.1482
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.3465	1
Loa Loa (eye worm)	hypothetical protein	0.0056	1	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.0011	0	0.5
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0011	0	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.1967	0.139
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.6532	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.1482	0.2269
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0	0.5
Giardia lamblia	Replication factor C, subunit 1	0.0011	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.1482	0.2269
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.1482	0.1482
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.1967	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.3465	0.3465
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1482	0.1482
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.3465	1
Entamoeba histolytica	hypothetical protein	0.0041	0.6532	1
Entamoeba histolytica	hypothetical protein	0.0041	0.6532	1
Treponema pallidum	DNA ligase (lig)	0.0011	0	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.3465	0.5305
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.6057	0.6057
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.1482	0.2269
Entamoeba histolytica	hypothetical protein	0.0041	0.6532	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.3465	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.1967	0.1967
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.3465	1
Schistosoma mansoni	hypothetical protein	0.0018	0.1482	0.2269
Loa Loa (eye worm)	hypothetical protein	0.002	0.1967	0.1967
Loa Loa (eye worm)	hypothetical protein	0.0027	0.3465	0.3465

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

ChEMBL: CHEMBL1197122

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 1174970