TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.411 | Formula: C18H17N3O2S
H donors: 1 H acceptors: 2 LogP: 2.95 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1cc(c2c1cccc2)C1=NS(=O)(=O)c2c(N1)cccc2
InChi: 1S/C18H17N3O2S/c1-2-11-21-12-14(13-7-3-5-9-16(13)21)18-19-15-8-4-6-10-17(15)24(22,23)20-18/h3-10,12H,2,11H2,1H3,(H,19,20)
InChiKey: LFMPABSZTFCWSL-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
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0283	0.1139	0.2905
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0188	0.0673	0.0684
Trichomonas vaginalis	CMGC family protein kinase	0.0188	0.0673	0.5
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0109	0.0099
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0283	0.1139	0.2905
Echinococcus granulosus	twitchin	0.0053	0.001	0.001
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0797	0.3654	0.3584
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.018	0.0633	0.0742
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.2019	0.9641	1
Treponema pallidum	pyruvate carboxylase subunit B	0.0073	0.0109	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.066	0.2984	0.3016
Trypanosoma cruzi	cdc2-related kinase 3	0.0188	0.0673	0.0942
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1514	0.7168	1
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0283	0.1139	0.3233
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.2092	1	1
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0073	0.0109	0.0109
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0283	0.1139	0.1139
Trichomonas vaginalis	CMGC family protein kinase	0.0188	0.0673	0.5
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0797	0.3654	0.3584
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.018	0.0633	0.0529
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.018	0.0633	0.1476
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0283	0.1139	0.2905
Trypanosoma brucei	cdc2-related kinase 3	0.0188	0.0673	0.057
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0188	0.0673	0.0684
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0188	0.0673	0.057
Plasmodium falciparum	carbamoyl phosphate synthetase	0.018	0.0633	0.0742
Echinococcus granulosus	cyclin dependent kinase	0.0188	0.0673	0.0673
Schistosoma mansoni	serine/threonine protein kinase	0.0188	0.0673	0.0673
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0283	0.1139	0.1041
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0357	0.1498	1
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0283	0.1139	0.2905
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0797	0.3654	1
Schistosoma mansoni	aspartate carbamoyltransferase	0.018	0.0633	0.0633
Echinococcus granulosus	cyclin dependent kinase 5	0.0188	0.0673	0.0673
Leishmania major	acetyl-CoA carboxylase, putative	0.2092	1	1
Echinococcus granulosus	Biotin lipoyl attachment	0.0073	0.0109	0.0109
Schistosoma mansoni	cell adhesion molecule	0.0054	0.0014	0.0014
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0073	0.0109	0.0109
Onchocerca volvulus	Tyrosine kinase homolog	0.0617	0.2771	1
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.018	0.0633	0.1476
Trypanosoma cruzi	cdc2-related kinase 1	0.0188	0.0673	0.0942
Echinococcus multilocularis	roundabout 2	0.0064	0.0065	0.0065
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0283	0.1139	0.1139
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0283	0.1139	0.2905
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0109	0.0099
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0188	0.0673	0.057
Echinococcus multilocularis	cyclin dependent kinase 1	0.0188	0.0673	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0109	0.0099
Brugia malayi	cell division control protein 2 homolog	0.0188	0.0673	0.0592
Mycobacterium ulcerans	pyruvate carboxylase	0.0797	0.3654	1
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.018	0.0633	0.0874
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0797	0.3654	1
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0283	0.1139	0.1041
Leishmania major	carbamoyl-phosphate synthase, putative	0.018	0.0633	0.0529
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0054	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0053
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0073	0.0109	0.0109
Chlamydia trachomatis	biotin carboxylase	0.0724	0.3295	1
Brugia malayi	Protein kinase domain containing protein	0.0188	0.0673	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0186	0.0663	0.0674
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0797	0.3654	1
Toxoplasma gondii	pyruvate carboxylase	0.0797	0.3654	0.3584
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.018	0.0633	0.0874
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0283	0.1139	0.2905
Toxoplasma gondii	carbamoylphosphate synthetase	0.018	0.0633	0.0529
Trichomonas vaginalis	CMGC family protein kinase	0.0188	0.0673	0.5
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.018	0.0633	0.0633
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0073	0.0109	0.0109
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0283	0.1139	0.2905
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0283	0.1139	0.2905
Plasmodium vivax	protein kinase Crk2	0.0188	0.0673	0.0799
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0283	0.1139	0.2905
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0188	0.0673	0.0673
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.2092	1	1
Trypanosoma brucei	cdc2-related kinase 1	0.0188	0.0673	0.057
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0797	0.3654	1
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0283	0.1139	0.172
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.2092	1	1
Leishmania major	carboxylase, putative	0.0797	0.3654	0.3584
Trypanosoma cruzi	acetyl-CoA carboxylase	0.1295	0.6096	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0797	0.3654	1
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0073	0.0109	0.0109
Brugia malayi	Carboxyl transferase domain containing protein	0.2019	0.9641	1
Plasmodium falciparum	protein kinase 5	0.0188	0.0673	0.0799
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0283	0.1139	0.2905
Schistosoma mansoni	pyruvate carboxylase	0.0797	0.3654	0.3654
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0797	0.3654	0.3584
Echinococcus multilocularis	cyclin dependent kinase	0.0188	0.0673	0.0673
Schistosoma mansoni	serine/threonine protein kinase	0.0188	0.0673	0.0673
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1514	0.7168	1
Trypanosoma brucei	acetyl-CoA carboxylase	0.2092	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0188	0.0673	0.0673
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.018	0.0633	0.0633
Echinococcus multilocularis	Biotin lipoyl attachment	0.0073	0.0109	0.0109
Echinococcus multilocularis	cyclin dependent kinase 5	0.0188	0.0673	0.0673
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0283	0.1139	0.172
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0357	0.1498	1
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0283	0.1139	0.1041
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0797	0.3654	0.3654
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0797	0.3654	1
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0283	0.1139	0.1041
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0073	0.0109	0.0109
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0797	0.3654	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0065	0.0053
Echinococcus granulosus	cyclin dependent kinase 1	0.0188	0.0673	0.0673
Echinococcus granulosus	roundabout 2	0.0064	0.0065	0.0065
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0283	0.1139	0.1139
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0797	0.3654	0.5922
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0073	0.0109	0.0109
Trypanosoma cruzi	cdc2-related kinase 1	0.0188	0.0673	0.0942
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0188	0.0673	0.0684
Trypanosoma cruzi	cdc2-related kinase 3	0.0188	0.0673	0.0942
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0283	0.1139	0.172
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0283	0.1139	0.2905
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0797	0.3654	0.3654
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0797	0.3654	0.5922
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0188	0.0673	0.057
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0073	0.0109	0.0109
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0797	0.3654	0.3654
Trypanosoma brucei	unspecified product	0.0524	0.2317	0.2232
Schistosoma mansoni	acetyl-CoA carboxylase	0.2092	1	1
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0797	0.3654	0.3654
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.066	0.2984	0.3085
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0283	0.1139	0.2905

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: CHEMBL1957273

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1642489