TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 525.837 | Formula: C23H16ClF4N3O5
H donors: 2 H acceptors: 4 LogP: 5.34 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(NC(=O)c1cccc(c1)OC(F)(F)F)Nc1cc(c(cc1Cl)F)N1C(=O)C2=C(C1=O)CCCC2
InChi: 1S/C23H16ClF4N3O5/c24-15-9-16(25)18(31-20(33)13-6-1-2-7-14(13)21(31)34)10-17(15)29-22(35)30-19(32)11-4-3-5-12(8-11)36-23(26,27)28/h3-5,8-10H,1-2,6-7H2,(H2,29,30,32,35)
InChiKey: HMNZBPOXXZYLMD-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
Bacillus subtilis (strain 168)	Protoporphyrinogen oxidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	protoporphyrinogen oxidase	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
Schistosoma japonicum	ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative	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
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
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Candida albicans	protoporphyrinogen oxidase	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
Leishmania mexicana	UDP-galactopyranose mutase	Protoporphyrinogen oxidase	470 aa	467 aa	21.8 %
Leishmania braziliensis	UDP-galactopyranose mutase	Protoporphyrinogen oxidase	470 aa	461 aa	20.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	amine oxidase	0.0025	0.0355	0.0713
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0164	0.0295
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Leishmania major	UDP-galactopyranose mutase	0.0025	0.0355	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1167	0.1152
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0192	0.4974	0.5
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0025	0.0355	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0164	0.0343
Brugia malayi	amine oxidase, flavin-containing family protein	0.0025	0.0355	0.0338
Echinococcus multilocularis	regulator of G protein signaling 7	0.0018	0.0164	0.0295
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0192	0.4974	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Brugia malayi	hypothetical protein	0.0018	0.0164	0.0146
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.2353	0.2339
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0192	0.4974	0.5
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0013	0.0018	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0133	0.0268
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Echinococcus granulosus	GPCR family 2	0.0017	0.0133	0.0272
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0013	0.0018	0.5
Toxoplasma gondii	histone lysine-specific demethylase	0.0025	0.0355	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0025	0.0355	0.5
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0133	0.0233
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0133	0.0233
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.0018	0.0036
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.0167	0.4274	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0133	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Brugia malayi	DIX domain containing protein	0.0018	0.0164	0.0146
Loa Loa (eye worm)	DIX domain-containing protein	0.0018	0.0164	0.0146
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0355	1
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0013	0.0018	0.0036
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0164	0.0343
Schistosoma mansoni	dishevelled	0.0018	0.0164	0.033
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0025	0.0355	0.0713
Schistosoma mansoni	z-protein (S1r protein)	0.0018	0.0164	0.033
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0018	0.0164	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0133	0.0268
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2353	0.473
Echinococcus granulosus	regulator of G protein signaling 7	0.0018	0.0164	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1167	0.1152
Brugia malayi	hypothetical protein	0.0018	0.0164	0.0146
Schistosoma mansoni	hypothetical protein	0.0037	0.0689	0.1385
Schistosoma mansoni	ras GTP exchange factor	0.0013	0.0018	0.0036
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0133	0.0268
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0355	0.0792
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0133	0.0272
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0018	0.0164	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0355	0.0338
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1167	0.1152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0133	0.0116
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0133	0.0272
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.2353	0.2339
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0164	0.0295
Onchocerca volvulus		0.0025	0.0355	0.0338
Brugia malayi	regulator of G-protein signaling egl-10	0.0018	0.0164	0.0146
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2353	0.5486
Echinococcus granulosus	segment polarity protein dishevelled	0.0018	0.0164	0.0343
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0133	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0164	0.0146
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0025	0.0355	0.068
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0355	0.5
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0192	0.4974	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0689	0.0672
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2353	0.4711
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1167	0.1152
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0164	0.0146
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0025	0.0355	0.5
Entamoeba histolytica	hypothetical protein	0.0013	0.0018	0.5
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.0018	0.0036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.2353	0.4711
Plasmodium falciparum	protoporphyrinogen oxidase	0.0025	0.0355	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.2353	0.5486
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0133	0.0116
Brugia malayi	SWIRM domain containing protein	0.0025	0.0355	0.0338
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0025	0.0355	0.5
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0018	0.0164	0.033
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0355	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2353	0.473
Schistosoma mansoni	amine oxidase	0.0025	0.0355	0.0713
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0355	0.0792
Echinococcus multilocularis		0.0025	0.0355	0.068
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0013	0.0018	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0018	0.0164	0.0343
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0025	0.0355	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0133	0.0268
Schistosoma mansoni	dep domain containing protein	0.0018	0.0164	0.033
Brugia malayi	hypothetical protein	0.0025	0.0355	0.0338
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Onchocerca volvulus		0.0018	0.0164	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0689	0.0672
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0192	0.4974	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Echinococcus multilocularis	segment polarity protein dishevelled	0.0018	0.0164	0.0295
Echinococcus granulosus	protoporphyrinogen oxidase	0.0167	0.4274	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0164	0.0146
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0133	0.0116
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0018	0.0164	0.0146
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0018	0.0164	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0013	0.0018	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0164	0.0146
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0013	0.0018	0.0036
Schistosoma mansoni	regulator of G protein signaling	0.0018	0.0164	0.033
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0355	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.2353	0.473
Schistosoma mansoni	dishevelled	0.0018	0.0164	0.033

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7.47	Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis	ChEMBL.	19540767

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: CHEMBL573877

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 1076374