TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 545.004 | Formula: C30H26ClFN4O3
H donors: 1 H acceptors: 2 LogP: 5.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CN1CCOCC1
InChi: 1S/C30H26ClFN4O3/c31-26-16-23(5-8-29(26)38-18-20-2-1-3-22(32)14-20)35-30-25-15-21(4-7-27(25)33-19-34-30)28-9-6-24(39-28)17-36-10-12-37-13-11-36/h1-9,14-16,19H,10-13,17-18H2,(H,33,34,35)
InChiKey: KYIOPHOSYULFRB-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)	RNA binding protein	0.0034	0.1889	0.1889
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.1069	0.3083
Echinococcus granulosus	tyrosyl tRNA synthetase	0.009	0.5855	0.6797
Plasmodium falciparum	tRNA import protein tRIP	0.0039	0.2241	0.726
Echinococcus multilocularis	heat shock protein	0.0018	0.0697	0.0725
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.2241	0.2073
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Echinococcus granulosus	intermediate filament protein	0.0015	0.0484	0.0473
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0014	0.0442	0.0424
Trichomonas vaginalis	heat shock protein, putative	0.0014	0.0442	0.0235
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit beta	0.0039	0.2241	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.2241	0.2073
Trichomonas vaginalis	set domain proteins, putative	0.0128	0.8591	0.856
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Loa Loa (eye worm)	endoplasmin	0.0018	0.0697	0.0697
Echinococcus multilocularis	endoplasmin	0.0014	0.0442	0.0424
Schistosoma mansoni	hypothetical protein	0.0026	0.1305	0.1233
Toxoplasma gondii	exonuclease III APE	0.0023	0.1069	0.3319
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0018	0.0697	0.0978
Trichomonas vaginalis	heat shock protein, putative	0.0014	0.0442	0.0235
Loa Loa (eye worm)	heat shock protein 90	0.0018	0.0697	0.0697
Brugia malayi	Pre-SET motif family protein	0.0016	0.0595	0.0595
Schistosoma mansoni	survival motor neuron protein	0.0026	0.1305	0.1233
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0039	0.2241	0.7164
Echinococcus granulosus	heat shock protein 90	0.0014	0.0442	0.0424
Leishmania major	tyrosyl-tRNA synthetase, putative	0.005	0.3056	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.1069	0.2399
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Leishmania major	hypothetical protein	0.0039	0.2241	0.6883
Echinococcus multilocularis	lamin dm0	0.0015	0.0484	0.0473
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0112	0.748	0.748
Trypanosoma cruzi	heat shock protein 90, putative	0.0014	0.0442	0.0901
Plasmodium vivax	SET domain protein, putative	0.0016	0.0595	0.1725
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0016	0.0595	0.0517
Brugia malayi	glutaminase DH11.1	0.0147	1	1
Brugia malayi	RNA binding protein	0.0034	0.1889	0.1889
Echinococcus multilocularis	heat shock protein 90	0.0018	0.0697	0.0725
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0034	0.1889	0.1889
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Schistosoma mansoni	ap endonuclease	0.0023	0.1069	0.0995
Echinococcus multilocularis	tar DNA binding protein	0.0034	0.1889	0.2127
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.1889	0.1822
Echinococcus multilocularis	tyrosyl tRNA synthetase	0.009	0.5855	0.6797
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0026	0.1305	0.1305
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Plasmodium vivax	endoplasmin, putative	0.0018	0.0697	0.2069
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.1069	0.3319
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.2241	0.7164
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.1069	0.0875
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.0039	0.2241	0.5
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Trichomonas vaginalis	heat shock protein, putative	0.0018	0.0697	0.0496
Schistosoma mansoni	methionyl-tRNA synthetase	0.0039	0.2241	0.2177
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.1069	0.1575
Entamoeba histolytica	hypothetical protein	0.0039	0.2241	0.6545
Onchocerca volvulus		0.0016	0.0595	0.0603
Echinococcus granulosus	aminoacyl tRNA synthase complex interacting	0.0039	0.2241	0.2542
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Echinococcus multilocularis	lamin	0.0015	0.0484	0.0473
Toxoplasma gondii	methionyl-tRNA synthetase	0.0039	0.2241	0.726
Trypanosoma cruzi	heat shock protein 85, putative	0.0014	0.0442	0.0901
Loa Loa (eye worm)	glutaminase	0.0147	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0595	0.0517
Toxoplasma gondii	tRNA binding domain-containing protein	0.0039	0.2241	0.726
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.1069	0.3319
Plasmodium vivax	methionine-tRNA ligase, putative	0.0039	0.2241	0.726
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.1069	0.0656
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0016	0.0595	0.0604
Giardia lamblia	Tyrosyl-tRNA synthetase	0.005	0.3056	1
Echinococcus granulosus	survival motor neuron protein 1	0.0127	0.8575	1
Mycobacterium ulcerans	glutaminase	0.0147	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0014	0.0442	0.0235
Echinococcus granulosus	histone lysine methyltransferase setb	0.0016	0.0595	0.0604
Trypanosoma cruzi	tyrosyl or methionyl-tRNA synthetase, putative	0.0039	0.2241	0.7164
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0016	0.0595	0.1725
Trypanosoma cruzi	Heat shock protein 83, putative	0.0018	0.0697	0.179
Brugia malayi	methionyl-tRNA synthetase	0.0039	0.2241	0.2241
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0014	0.0442	0.5
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Onchocerca volvulus		0.0015	0.0484	0.0472
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.2241	0.2073
Trypanosoma cruzi	heat shock protein 85, putative	0.0018	0.0697	0.179
Loa Loa (eye worm)	TAR-binding protein	0.0034	0.1889	0.1889
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.005	0.3056	0.2906
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.0009	0.0082	0.0082
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.2241	0.7164
Schistosoma mansoni	ap endonuclease	0.0023	0.1069	0.0995
Loa Loa (eye worm)	hypothetical protein	0.001	0.0154	0.0154
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.1069	0.3485
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.1889	0.1822
Echinococcus multilocularis	musashi	0.0015	0.0484	0.0473
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.1069	0.3485
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0016	0.0595	0.0604
Giardia lamblia	Methionyl-tRNA synthetase	0.0039	0.2241	0.6883
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0484	0.0484
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Brugia malayi	Intermediate filament tail domain containing protein	0.0015	0.0484	0.0484
Trypanosoma cruzi	heat shock protein 90, putative	0.0018	0.0697	0.179
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Brugia malayi	TAR-binding protein	0.0034	0.1889	0.1889
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0015	0.0484	0.0484
Toxoplasma gondii	heat shock protein HSP90	0.0018	0.0697	0.2069
Toxoplasma gondii	heat shock protein 90, putative	0.0018	0.0697	0.2069
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.1889	0.1822
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Plasmodium vivax	heat shock protein 86, putative	0.0018	0.0697	0.2069
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0016	0.0553	0.0554
Schistosoma mansoni	lamin	0.0015	0.0484	0.0405
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.005	0.3056	1
Brugia malayi	hypothetical protein	0.0009	0.0082	0.0082
Loa Loa (eye worm)	intermediate filament protein	0.0015	0.0484	0.0484
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.1069	0.3083
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0595	0.0595
Trichomonas vaginalis	methionyl-tRNA synthetase, putative	0.0039	0.2241	0.2073
Trichomonas vaginalis	glutaminase, putative	0.0147	1	1
Echinococcus granulosus	lamin	0.0015	0.0484	0.0473
Schistosoma mansoni	glutaminase	0.0147	1	1
Echinococcus granulosus	heat shock protein	0.0018	0.0697	0.0725
Leishmania major	hypothetical protein, conserved	0.0039	0.2241	0.6883
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Leishmania major	tyrosyl or methionyl-tRNA synthetase-like protein	0.0039	0.2241	0.6883
Onchocerca volvulus		0.0128	0.8591	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Toxoplasma gondii	rhoptry neck protein RON9	0.0009	0.0082	0.00000016238
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.1069	0.1162
Echinococcus multilocularis	aminoacyl tRNA synthase complex interacting	0.0039	0.2241	0.2542
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.1069	0.1575
Brugia malayi	pregnancy-associated plasma protein-A	0.0009	0.0082	0.0082
Entamoeba histolytica	hypothetical protein	0.0039	0.2241	0.6545
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.1069	0.1069
Trypanosoma cruzi	tyrosyl-tRNA synthetase, putative	0.005	0.3056	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0595	0.0517
Schistosoma mansoni	tyrosyl-tRNA synthetase	0.009	0.5855	0.5821
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.1069	0.0875
Trypanosoma brucei	tyrosyl-tRNA synthetase, putative	0.0039	0.2241	0.6545
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.1069	0.1162
Brugia malayi	Sushi domain	0.0009	0.0082	0.0082
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Brugia malayi	heat shock protein 90	0.0018	0.0697	0.0697
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0039	0.2241	0.2241
Toxoplasma gondii	tRNA synthetases class I family protein	0.005	0.3056	1
Treponema pallidum	methionyl-tRNA synthetase	0.0039	0.2241	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0018	0.0697	0.179
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit beta	0.0039	0.2241	0.1883
Schistosoma mansoni	heat shock protein	0.0018	0.0697	0.0621
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.2241	0.2073
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0016	0.0595	0.0517
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Schistosoma mansoni	heat shock protein	0.0018	0.0697	0.0621
Brugia malayi	intermediate filament protein	0.0015	0.0484	0.0484
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.1069	0.3485
Echinococcus multilocularis	survival motor neuron protein 1	0.0127	0.8575	1
Plasmodium vivax	tyrosine--tRNA ligase, putative	0.005	0.3056	1
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.1889	0.1822
Echinococcus multilocularis	heat shock protein 90	0.0014	0.0442	0.0424
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0039	0.2241	0.6545
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Trypanosoma cruzi	heat shock protein 85, putative	0.0018	0.0697	0.179
Brugia malayi	Pre-SET motif family protein	0.0112	0.748	0.748
Brugia malayi	RNA recognition motif domain containing protein	0.0034	0.1889	0.1889
Schistosoma mansoni	tar DNA-binding protein	0.0034	0.1889	0.1822
Schistosoma mansoni	lamin	0.0015	0.0484	0.0405
Trypanosoma brucei	tyrosyl/methionyl-tRNA synthetase, putative	0.0039	0.2241	0.6545
Brugia malayi	Endoplasmin precursor	0.0018	0.0697	0.0697
Brugia malayi	GCC2 and GCC3 family protein	0.0011	0.023	0.023
Loa Loa (eye worm)	hypothetical protein	0.0011	0.023	0.023
Brugia malayi	hypothetical protein	0.0127	0.8575	0.8575
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0127	0.8575	0.8575
Plasmodium falciparum	endoplasmin, putative	0.0011	0.0212	0.0438
Schistosoma mansoni	endoplasmin	0.0018	0.0697	0.0621
Echinococcus granulosus	lamin dm0	0.0015	0.0484	0.0473
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.1069	0.1069
Onchocerca volvulus		0.0015	0.0484	0.0472
Onchocerca volvulus		0.0026	0.1305	0.1437
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.1069	0.2399
Echinococcus granulosus	heat shock protein 90	0.0018	0.0697	0.0725
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0465	0.0465
Schistosoma mansoni	endoplasmin	0.0018	0.0697	0.0621
Echinococcus granulosus	tar DNA binding protein	0.0034	0.1889	0.2127
Schistosoma mansoni	intermediate filament proteins	0.0015	0.0484	0.0405
Plasmodium falciparum	heat shock protein 90	0.0018	0.0697	0.2069
Echinococcus granulosus	endoplasmin	0.0014	0.0442	0.0424
Plasmodium falciparum	tyrosine--tRNA ligase	0.005	0.3056	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0082	0.0082
Entamoeba histolytica	tyrosyl-tRNA synthetase, putative	0.005	0.3056	1
Leishmania major	heat shock protein 83-1	0.0018	0.0697	0.0978
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.0039	0.2241	1

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: CHEMBL3546948

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 2074228