TDR Targets

Basic information

Technical information

TDR Targets ID: 1615730
Name: (3Z)-1-(3-bromophenyl)-3-[[4-[(Z)-[1-(3-bromo phenyl)-2,5-dioxopyrrolidin-3-ylidene]methyl] phenyl]methylidene]pyrrolidine-2,5-dione
MW: 606.262 | Formula: C28H18Br2N2O4
H donors: 0 H acceptors: 4 LogP: 5.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: Brc1cccc(c1)N1C(=O)C/C(=C/c2ccc(cc2)/C=C\2/CC(=O)N(C2=O)c2cccc(c2)Br)/C1=O
InChi: 1S/C28H18Br2N2O4/c29-21-3-1-5-23(15-21)31-25(33)13-19(27(31)35)11-17-7-9-18(10-8-17)12-20-14-26(34)32(28(20)36)24-6-2-4-22(30)16-24/h1-12,15-16H,13-14H2/b19-11-,20-12-
InChiKey: DNEWVCBAGDZJJM-YZLQMOBTSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(3Z)-1-(3-bromophenyl)-3-[[4-[(Z)-[1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-ylidene]methyl]phenyl]methylene]pyrrolidine-2,5-dione
(3Z)-1-(3-bromophenyl)-3-[[4-[(Z)-[1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinylidene]methyl]phenyl]methylene]pyrrolidine-2,5-dione
(3Z)-1-(3-bromophenyl)-3-[4-[(Z)-[1-(3-bromophenyl)-2,5-diketo-pyrrolidin-3-ylidene]methyl]benzylidene]pyrrolidine-2,5-quinone
(3Z)-1-(3-bromophenyl)-3-[[4-[(Z)-[1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-ylidene]methyl]phenyl]methylidene]pyrrolidine-2,5-dione

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
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0072	0.2361	0.5108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1169	0.0949
Echinococcus multilocularis	Bromodomain containing protein	0.0032	0.0253	0.001
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1169	0.1169
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0243	0.0243
Onchocerca volvulus		0.0032	0.0253	1
Trypanosoma cruzi	aldo-keto reductase	0.0032	0.0243	0.5
Entamoeba histolytica	bromodomain-containing protein	0.0032	0.0253	0.001
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0243	0.0243
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0919	0.1632
Echinococcus granulosus	bromodomain containing 2	0.0072	0.2361	0.217
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1169	0.0949
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0243	0.0243
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	0.0243	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2361	0.217
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1169	0.2214
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1169	0.0949
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Brugia malayi	Bromodomain containing protein	0.0072	0.2361	0.2361
Echinococcus multilocularis	bromodomain containing 2	0.0072	0.2361	0.217
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0032	0.0243	0.5
Trichomonas vaginalis	serine threonine-protein kinase, putative	0.011	0.4389	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0032	0.0243	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Giardia lamblia	Kinase, putative	0.0032	0.0253	1
Trypanosoma brucei	prostaglandin f synthase	0.0032	0.0243	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0032	0.0243	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.011	0.4389	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0919	0.1632
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0072	0.2361	0.5064
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Leishmania major	prostaglandin f synthase, putative	0.0032	0.0243	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0253	0.0023
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1169	0.0949
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Entamoeba histolytica	bromodomain-containing protein	0.0032	0.0253	0.001
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1169	0.2214
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0667	0.1022
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1169	0.2214
Leishmania major	aldo-keto reductase-like protein	0.0032	0.0243	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Brugia malayi	Bromodomain containing protein	0.0072	0.2361	0.2361
Schistosoma mansoni	serine/threonine protein kinase	0.0111	0.4425	1
Loa Loa (eye worm)	bromodomain containing protein	0.0032	0.0253	0.001
Toxoplasma gondii	bromodomain-containing protein	0.0032	0.0253	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0919	0.1632
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0919	0.1632
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Mycobacterium ulcerans	oxidoreductase	0.0032	0.0243	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	0.0243	0.5
Entamoeba histolytica	bromodomain-containing protein	0.0032	0.0253	0.001
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1169	0.0949
Trichomonas vaginalis	bromodomain containing protein, putative	0.0045	0.0919	0.1632
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	0.0243	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0032	0.0253	0.0023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0072	0.2361	0.5108

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.299	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.288	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1971065

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 1615730