TDR Targets

Basic information

Technical information

TDR Targets ID: 167280
Name: (3E)-3-[(4-bromothiophen-2-yl)methylidene]-1H -indol-2-one
MW: 306.178 | Formula: C13H8BrNOS
H donors: 1 H acceptors: 1 LogP: 3.3 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Brc1csc(c1)/C=C\1/C(=O)Nc2c1cccc2
InChi: 1S/C13H8BrNOS/c14-8-5-9(17-7-8)6-11-10-3-1-2-4-12(10)15-13(11)16/h1-7H,(H,15,16)/b11-6+
InChiKey: ONXUHKXDKGXHFK-IZZDOVSWSA-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

(3E)-3-[(4-bromo-2-thienyl)methylene]indolin-2-one
(3E)-3-[(4-bromo-2-thienyl)methylene]-2-indolinone
(3E)-3-[(4-bromo-2-thienyl)methylene]oxindole

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
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0143	0.3182
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0143	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Leishmania major	polypeptide deformylase-like protein, putative	0.0094	0.3521	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0448	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0143	0.3182
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0094	0.3521	1
Onchocerca volvulus		0.0022	0.0448	1
Trypanosoma brucei	Peptide deformylase 2	0.0094	0.3521	1
Loa Loa (eye worm)	cysteine protease	0.0022	0.0448	1
Plasmodium vivax	vivapain-2	0.0022	0.0448	0.0448
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Plasmodium vivax	vivapain-2	0.0022	0.0448	0.0448
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0448	1
Echinococcus granulosus	cathepsin l1	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Brugia malayi	cathepsin L-like precursor	0.0015	0.0143	0.3182
Onchocerca volvulus		0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0143	0.0405
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Onchocerca volvulus		0.0022	0.0448	1
Plasmodium falciparum	peptide deformylase	0.0247	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0448	1
Echinococcus multilocularis	cysteine protease	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0022	0.0448	0.0448
Toxoplasma gondii	hypothetical protein	0.0247	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0448	0.1273
Plasmodium vivax	peptide deformylase, putative	0.0247	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0143	0.3182
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0448	1
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.0247	1	0.5
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.0247	1	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0448	0.1273
Echinococcus granulosus	cathepsin l1	0.0015	0.0143	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0448	1
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0448	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0094	0.3521	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0143	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0448	0.1273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Echinococcus multilocularis	cysteine protease	0.0022	0.0448	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0022	0.0448	0.0448
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0022	0.0448	0.0448
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0448	1
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0448	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0448	0.1273
Mycobacterium ulcerans	peptide deformylase	0.0247	1	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0448	1
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0448	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0143	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0094	0.3521	1
Loa Loa (eye worm)	ctsf protein	0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0094	0.3521	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0448	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0448	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Loa Loa (eye worm)	fibroinase	0.0022	0.0448	1
Trypanosoma brucei	Polypeptide deformylase 1	0.0094	0.3521	1
Treponema pallidum	polypeptide deformylase (def)	0.0247	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.0247	1	0.5
Onchocerca volvulus		0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0448	1
Onchocerca volvulus		0.0022	0.0448	1
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0143	0.3182
Onchocerca volvulus		0.0022	0.0448	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0448	0.1273
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0448	0.1273
Onchocerca volvulus		0.0022	0.0448	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0448	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3	Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)	ChEMBL.	10956210
Log IC50 (binding)	= 3	Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1)	ChEMBL.	10956210

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

PubChem: 21957654

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 167280