TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.886 | Formula: C15H15ClF2N4OS2
H donors: 0 H acceptors: 2 LogP: 5.25 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCSc1sc2c(n1)cc(c(c2)Cl)n1nc(n(c1=O)C(F)F)C
InChi: 1S/C15H15ClF2N4OS2/c1-3-4-5-24-14-19-10-7-11(9(16)6-12(10)25-14)22-15(23)21(13(17)18)8(2)20-22/h6-7,13H,3-5H2,1-2H3
InChiKey: UGPPDXIBZIPNOD-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

Species	Target name	Source	Bibliographic reference
Nicotiana tabacum	Protoporphyrinogen oxidase, chloroplastic	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Candida albicans	protoporphyrinogen oxidase, heme biosynthesis	Get druggable targets OG5_129066	All targets in OG5_129066
Chlamydia trachomatis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma japonicum	ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus granulosus	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	Get druggable targets OG5_129066	All targets in OG5_129066
Mycobacterium ulcerans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus multilocularis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Neospora caninum	Protoporphyrinogen oxidase, related	Protoporphyrinogen oxidase, chloroplastic	548 aa	482 aa	23.4 %
Toxoplasma gondii	protoporphyrinogen oxidase	Protoporphyrinogen oxidase, chloroplastic	548 aa	467 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.028	0.0126
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0141	0.1564	0.143
Mycobacterium ulcerans	beta-lactamase	0.0035	0.028	0.0612
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0175	0.002
Brugia malayi	beta-lactamase family protein	0.0035	0.028	0.0257
Plasmodium falciparum	protoporphyrinogen oxidase	0.0025	0.0156	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Brugia malayi	beta-lactamase family protein	0.0035	0.028	0.0257
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0615	0.0467
Brugia malayi	SWIRM domain containing protein	0.0025	0.0156	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.028	0.0257
Brugia malayi	Carboxylesterase family protein	0.0141	0.1564	0.1544
Onchocerca volvulus		0.0141	0.1564	1
Echinococcus multilocularis	lamin	0.0027	0.0175	0.0169
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0141	0.1564	0.7994
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0615	0.0615
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.028	0.0507
Loa Loa (eye worm)	carboxylesterase	0.0141	0.1564	0.1564
Schistosoma mansoni	BC026374 protein (S09 family)	0.0141	0.1564	0.143
Echinococcus granulosus	carboxylesterase 5A	0.0835	1	1
Loa Loa (eye worm)	hypothetical protein	0.0835	1	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.028	0.0612
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.028	0.0274
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0615	0.061
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.028	0.0126
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0615	0.0467
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0141	0.1564	0.143
Mycobacterium ulcerans	hypothetical protein	0.0035	0.028	0.0612
Brugia malayi	MH2 domain containing protein	0.0124	0.1354	0.1334
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0141	0.1564	0.143
Brugia malayi	hypothetical protein	0.0025	0.0156	0.0133
Echinococcus multilocularis	acetylcholinesterase	0.0835	1	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.028	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0006
Brugia malayi	Carboxylesterase family protein	0.0141	0.1564	0.1544
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0141	0.1564	0.5754
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0023	0.0023
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0141	0.1564	0.143
Mycobacterium tuberculosis	Conserved protein	0.0035	0.028	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Echinococcus granulosus	para nitrobenzyl esterase	0.0141	0.1564	0.1559
Echinococcus multilocularis	para nitrobenzyl esterase	0.0141	0.1564	0.1559
Trichomonas vaginalis	spcc417.12 protein, putative	0.0141	0.1564	0.7994
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0615	0.0467
Loa Loa (eye worm)	carboxylesterase	0.0835	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0615	0.061
Onchocerca volvulus		0.0035	0.028	0.088
Onchocerca volvulus		0.0027	0.0175	0.0137
Echinococcus granulosus	protoporphyrinogen oxidase	0.0167	0.1876	0.1871
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.028	1
Schistosoma mansoni	lamin	0.0027	0.0175	0.002
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.2603	1
Brugia malayi	Carboxylesterase family protein	0.0141	0.1564	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0835	1	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0025	0.0156	0.0133
Brugia malayi	Carboxylesterase family protein	0.0141	0.1564	0.1544
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.028	0.028
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0141	0.1564	0.5754
Echinococcus multilocularis	carboxylesterase 5A	0.0835	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0168	0.1886	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0192	0.2183	0.2059
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.028	0.0507
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0615	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.1354	0.1354
Echinococcus multilocularis	neuroligin	0.0141	0.1564	0.1559
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0156	0.015
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0192	0.2183	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.028	1
Echinococcus multilocularis		0.0025	0.0156	0.015
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Echinococcus granulosus	neuroligin	0.0141	0.1564	0.1559
Echinococcus granulosus	lamin	0.0027	0.0175	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1943	0.1943
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Loa Loa (eye worm)	acetylcholinesterase 1	0.0835	1	1
Brugia malayi	intermediate filament protein	0.0027	0.0175	0.0152
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0172	0.1943	0.1924
Mycobacterium ulcerans	carboxylesterase, LipT	0.0141	0.1564	0.6946
Leishmania major	hypothetical protein, conserved	0.0035	0.028	1
Brugia malayi	hypothetical protein	0.0141	0.1564	0.1544
Onchocerca volvulus		0.0027	0.0175	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0025	0.0156	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.028	0.0507
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.028	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.028	0.0612
Brugia malayi	RNA binding protein	0.0063	0.0615	0.0593
Toxoplasma gondii	ABC1 family protein	0.0035	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Schistosoma mansoni	lamin	0.0027	0.0175	0.002
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0169	0.0169
Echinococcus granulosus	intermediate filament protein	0.0027	0.0175	0.0169
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.1354	0.1354
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0615	0.0467
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0141	0.1564	0.1559
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.028	0.0507
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0156	0.015
Loa Loa (eye worm)	beta-lactamase	0.0035	0.028	0.028
Onchocerca volvulus		0.0141	0.1564	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0175	0.0169
Onchocerca volvulus		0.0035	0.028	0.088
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0141	0.1564	0.1559
Echinococcus granulosus	BC026374 protein S09 family	0.0141	0.1564	0.1559
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0025	0.0156	0.5
Echinococcus multilocularis	musashi	0.0027	0.0175	0.0169
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0175	0.0175
Echinococcus granulosus	acetylcholinesterase	0.0835	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0141	0.1564	0.1559
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0175	0.0152
Schistosoma mansoni	gliotactin	0.0141	0.1564	0.143
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0192	0.2183	1
Onchocerca volvulus		0.0141	0.1564	1
Brugia malayi	Carboxylesterase family protein	0.0835	1	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.028	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0035	0.028	0.028
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0141	0.1564	0.5754
Brugia malayi	beta-lactamase	0.0035	0.028	0.0257
Mycobacterium tuberculosis	Conserved protein	0.0035	0.028	0.0507
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0615	0.0615
Echinococcus granulosus	lamin dm0	0.0027	0.0175	0.0169
Echinococcus granulosus	acetylcholinesterase	0.0835	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0615	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0192	0.2183	0.2178
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0192	0.2183	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0025	0.0156	0.015
Echinococcus multilocularis	acetylcholinesterase	0.0835	1	1
Onchocerca volvulus		0.0035	0.028	0.088
Brugia malayi	TAR-binding protein	0.0063	0.0615	0.0593
Onchocerca volvulus		0.0141	0.1564	1
Onchocerca volvulus		0.0141	0.1564	1
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.0167	0.1876	0.7029
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1564	0.1564
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0615	0.0467
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.028	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0835	1	1
Schistosoma mansoni	acetylcholinesterase	0.0141	0.1564	0.143
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0156	0.0156
Loa Loa (eye worm)	carboxylesterase	0.0141	0.1564	0.1564
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.028	0.0274
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.028	0.0507
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.028	0.0507

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.97 uM	Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay	ChEMBL.	23623257

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: CHEMBL2286223

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 1807264