TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.508 | Formula: C21H17N3O3S2
H donors: 0 H acceptors: 3 LogP: 2.21 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=c1n(C)c2nc3/C(=C/c4ccsc4)/COCc3c(c2c(=O)n1C)c1ccsc1
InChi: 1S/C21H17N3O3S2/c1-23-19-17(20(25)24(2)21(23)26)16(13-4-6-29-11-13)15-9-27-8-14(18(15)22-19)7-12-3-5-28-10-12/h3-7,10-11H,8-9H2,1-2H3/b14-7+
InChiKey: MEDZPHIPBONSSB-VGOFMYFVSA-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
Echinococcus multilocularis	neuroligin	0.0467	0.1588	0.1588
Schistosoma mansoni	amine oxidase	0.0086	0.0191	0.0191
Echinococcus granulosus	acetylcholinesterase	0.2765	1	1
Echinococcus multilocularis	acetylcholinesterase	0.2765	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0467	0.1588	0.1588
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.005	0.005
Loa Loa (eye worm)	carboxylesterase	0.0467	0.1588	0.1588
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0191	0.5
Echinococcus granulosus	BC026374 protein S09 family	0.0467	0.1588	0.1588
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0142	0.0142
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0086	0.0191	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0086	0.0191	0.5
Onchocerca volvulus		0.0467	0.1588	1
Schistosoma mansoni	amine oxidase	0.0086	0.0191	0.0191
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0142	0.0142
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0086	0.0191	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0265	0.0265
Onchocerca volvulus		0.0086	0.0191	0.092
Brugia malayi	amine oxidase, flavin-containing family protein	0.0086	0.0191	0.0191
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.005	0.005
Brugia malayi	Carboxylesterase family protein	0.0467	0.1588	0.1588
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0043	0.0043
Onchocerca volvulus		0.0467	0.1588	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0086	0.0191	0.0191
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.005	0.005
Loa Loa (eye worm)	acetylcholinesterase 1	0.2765	1	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0086	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0047	0.005	0.005
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0086	0.0191	0.0191
Loa Loa (eye worm)	carboxylesterase	0.0467	0.1588	0.1588
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0074	0.0074
Onchocerca volvulus		0.0467	0.1588	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0074	0.0074
Mycobacterium ulcerans	carboxylesterase, LipT	0.0467	0.1588	0.3371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0043
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0043
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.005	0.005
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0186	0.0557	0.0557
Onchocerca volvulus		0.0467	0.1588	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0467	0.1588	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0074	0.0074
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0086	0.0191	0.0191
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.005	0.005
Echinococcus multilocularis	carboxylesterase 5A	0.2765	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0043	0.0043
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.005	0.005
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0467	0.1588	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0043	0.0043
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0191	0.5
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Brugia malayi	mbt repeat family protein	0.0047	0.005	0.005
Brugia malayi	Carboxylesterase family protein	0.0467	0.1588	0.1588
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0043	0.0043
Brugia malayi	Carboxylesterase family protein	0.0467	0.1588	0.1588
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0467	0.1588	0.3648
Brugia malayi	Carboxylesterase family protein	0.2765	1	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0086	0.0191	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0086	0.0191	0.5
Schistosoma mansoni	gliotactin	0.0467	0.1588	0.1588
Leishmania major	UDP-galactopyranose mutase	0.0086	0.0191	0.5
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1217	0.4334	1
Echinococcus multilocularis	acetylcholinesterase	0.2765	1	1
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0186	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Echinococcus granulosus	acetylcholinesterase	0.2765	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0467	0.1588	0.1588
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0074	0.0074
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2765	1	1
Brugia malayi	SWIRM domain containing protein	0.0086	0.0191	0.0191
Echinococcus granulosus	neuroligin	0.0467	0.1588	0.1588
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0467	0.1588	0.3648
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0467	0.1588	0.1588
Onchocerca volvulus		0.0467	0.1588	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0086	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Schistosoma mansoni	acetylcholinesterase	0.0467	0.1588	0.1588
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0074	0.0074
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1131	0.402	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0142	0.0142
Brugia malayi	Carboxylesterase family protein	0.0467	0.1588	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Brugia malayi	mbt repeat family protein	0.0047	0.005	0.005
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0086	0.0191	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0043	0.0043
Brugia malayi	hypothetical protein	0.0467	0.1588	0.1588
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0086	0.0191	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0467	0.1588	0.1588
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.0265	0.0265
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0467	0.1588	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0467	0.1588	0.1588
Echinococcus multilocularis		0.0086	0.0191	0.0191
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.005	0.005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0467	0.1588	0.1588
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0467	0.1588	0.1588
Loa Loa (eye worm)	hypothetical protein	0.2765	1	1
Echinococcus granulosus	carboxylesterase 5A	0.2765	1	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0043	0.0043
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0467	0.1588	0.3648
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0191	0.0191
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0086	0.0191	0.5
Loa Loa (eye worm)	carboxylesterase	0.2765	1	1
Loa Loa (eye worm)	hypothetical protein	0.2765	1	1
Brugia malayi	hypothetical protein	0.0086	0.0191	0.0191
Loa Loa (eye worm)	MBCTL1	0.0054	0.0074	0.0074
Plasmodium falciparum	protoporphyrinogen oxidase	0.0086	0.0191	0.5
Toxoplasma gondii	histone lysine-specific demethylase	0.0086	0.0191	0.5
Schistosoma mansoni	hypothetical protein	0.0286	0.0925	0.0925
Echinococcus multilocularis	para nitrobenzyl esterase	0.0467	0.1588	0.1588
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.0265	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1217	0.4334	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1588	0.1588
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0074	0.0074
Trichomonas vaginalis	spcc417.12 protein, putative	0.0467	0.1588	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0043	0.0043
Plasmodium vivax	hypothetical protein, conserved	0.0086	0.0191	0.5

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: CHEMBL2391503

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 1777253