TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 625.529 | Formula: C28H26Cl2N8O3S
H donors: 3 H acceptors: 6 LogP: 4.9 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Nc1nc2c(n1C)ccc(c2)N(c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C)C)Cc1ccc(c(c1)Cl)Cl
InChi: 1S/C28H26Cl2N8O3S/c1-16-4-6-18(14-24(16)42(31,40)41)33-27-32-11-10-25(35-27)37(2)19-7-9-23-22(15-19)34-28(38(23)3)36-26(39)13-17-5-8-20(29)21(30)12-17/h4-12,14-15H,13H2,1-3H3,(H2,31,40,41)(H,32,33,35)(H,34,36,39)
InChiKey: FMALEEQZROQSGT-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)	hypothetical protein	0.0037	0.1178	0.1708
Brugia malayi	beta-lactamase	0.0037	0.1178	0.1708
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1178	0.5847
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0132	0.0192
Schistosoma mansoni	cytochrome P450	0.0012	0.0079	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0013	0.011	0.0159
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0438	0.3265
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0524	0.076
Entamoeba histolytica	acetyltransferase, GNAT family	0.0044	0.1523	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0438	0.0361
Schistosoma mansoni	lamin	0.0027	0.0767	0.1112
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.2563	0.3717
Onchocerca volvulus		0.0027	0.0767	0.6511
Brugia malayi	beta-lactamase family protein	0.0037	0.1178	0.1708
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2563	0.3717
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.1178	0.1708
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0438	0.3265
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0164	0.6895	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0438	0.5
Brugia malayi	cytochrome P450	0.0012	0.0079	0.0115
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0524	0.076
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.1178	1
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0524	0.4047
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0132	0.0192
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0438	0.0635
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2563	0.3717
Trypanosoma brucei	cytochrome P450, putative	0.0022	0.0524	0.4047
Schistosoma mansoni	ap endonuclease	0.002	0.0438	0.0635
Mycobacterium ulcerans	beta-lactamase	0.0037	0.1178	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0132	0.0198
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.1703	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0048	0.1703	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0744	0.1079
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0524	0.076
Echinococcus multilocularis	lamin dm0	0.0027	0.0767	0.1112
Echinococcus multilocularis		0.0012	0.0079	0.0115
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.1178	0.1708
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.3671	0.5324
Brugia malayi	Cytochrome P450 family protein	0.0034	0.1047	0.1519
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1178	0.1708
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.1178	0.1708
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.3671	0.5489
Leishmania major	hypothetical protein, conserved	0.0037	0.1178	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0.0524	0.4047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3671	0.5324
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0048	0.1703	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.2563	0.3717
Loa Loa (eye worm)	RNA binding protein	0.0067	0.2563	0.3717
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1178	1
Loa Loa (eye worm)	acetyltransferase	0.0164	0.6895	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0197	0.0286
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1178	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.1178	1
Echinococcus multilocularis	musashi	0.0027	0.0767	0.1112
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.0524	0.4047
Brugia malayi	TAR-binding protein	0.0067	0.2563	0.3717
Onchocerca volvulus		0.0037	0.1178	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.1703	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0438	0.3265
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0438	0.0655
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0197	0.0286
Toxoplasma gondii	exonuclease III APE	0.002	0.0438	0.2208
Trichomonas vaginalis	esterase, putative	0.0037	0.1178	0.5847
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.1178	0.1107
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1178	0.5847
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1178	0.1107
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.1178	0.1107
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.1703	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.3671	0.5489
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1178	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0438	0.3265
Echinococcus granulosus	histone acetyltransferase KAT2B	0.016	0.6688	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.2563	0.3717
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.1523	1
Loa Loa (eye worm)	CYP4Cod1	0.0022	0.0524	0.076
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1178	0.1708
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.3671	0.5324
Echinococcus multilocularis	lamin	0.0027	0.0767	0.1112
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.1703	0.2546
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0438	0.0635
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0164	0.6895	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1178	0.1107
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3671	0.5324
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0767	0.1112
Schistosoma mansoni	lamin	0.0027	0.0767	0.1112
Mycobacterium leprae	Probable lipase LipE	0.0037	0.1178	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.1178	0.1107
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.1178	0.1107
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.1178	1
Echinococcus granulosus	lamin dm0	0.0027	0.0767	0.1146
Toxoplasma gondii	ABC1 family protein	0.0037	0.1178	0.6764
Onchocerca volvulus		0.0037	0.1178	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1178	0.1708
Mycobacterium ulcerans	lipase LipD	0.0037	0.1178	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0767	0.1112
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.1047	0.1519
Brugia malayi	intermediate filament protein	0.0027	0.0767	0.1112
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.1523	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0438	0.3265
Echinococcus granulosus	cytochrome P450 2K1	0.0012	0.0079	0.0118
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.1178	0.1761
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.1178	0.1107
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1178	0.5847
Onchocerca volvulus		0.0027	0.0767	0.6511
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0524	0.076
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0079	0.0115
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0767	0.1112
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1178	0.1708
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0438	0.5
Echinococcus granulosus	lamin	0.0027	0.0767	0.1146
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0767	0.1112
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1178	0.1107
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2563	0.3717
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2563	0.3717
Echinococcus granulosus	intermediate filament protein	0.0027	0.0767	0.1146
Schistosoma mansoni	hypothetical protein	0.0012	0.0079	0.0115
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.1178	0.5847
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.1178	0.1107
Loa Loa (eye worm)	cytochrome P450	0.0012	0.0079	0.0115
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1178	0.5847
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0767	0.1112
Loa Loa (eye worm)	beta-lactamase	0.0037	0.1178	0.1708
Brugia malayi	acetyltransferase, GNAT family protein	0.0164	0.6895	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.3671	0.5324
Echinococcus granulosus	tar DNA binding protein	0.0067	0.2563	0.3832
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1178	0.1708
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.3671	0.5324
Brugia malayi	beta-lactamase family protein	0.0037	0.1178	0.1708
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1178	0.5847
Onchocerca volvulus		0.0037	0.1178	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.1178	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.011	0.0159
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.3671	0.5324
Schistosoma mansoni	ap endonuclease	0.002	0.0438	0.0635
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1178	0.1708
Brugia malayi	RNA binding protein	0.0067	0.2563	0.3717
Leishmania major	cytochrome p450-like protein	0.0022	0.0524	0.4047
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.1178	0.1107
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0438	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1178	0.1708
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.2563	0.3717
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.2563	0.3717

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: CHEMBL527512

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 1022209