TDR Targets

Basic information

Technical information

TDR Targets ID: 1606671
Name: 1-(4-bromophenyl)-1,3-dihydro-[1,3]thiazolo[3 ,4-a]benzimidazole
MW: 331.23 | Formula: C15H11BrN2S
H donors: 0 H acceptors: 1 LogP: 4.11 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)C1SCc2n1c1ccccc1n2
InChi: 1S/C15H11BrN2S/c16-11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-19-15/h1-8,15H,9H2
InChiKey: VAZZLVFERHJLEV-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

1-(4-bromophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole
136994-84-8
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-bromophenyl)-
AIDS-003082
AIDS003082
AIDS160336
AIDS-160336
NCI60_007876
NSC625475
1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-bromophenyl)-
1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole

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
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.2558	0.2147
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.2093	0.1656
Schistosoma mansoni	hypothetical protein	0.002	0.2558	0.2822
Echinococcus granulosus	dna polymerase kappa	0.0019	0.2093	0.1656
Schistosoma mansoni	plexin	0.0035	0.7733	1
Echinococcus granulosus	plexin a4	0.0041	1	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.2093	0.1656
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.2093	0.1656
Loa Loa (eye worm)	plexin A	0.0041	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.2093	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.2093	0.1656
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.2093	0.5
Leishmania major	DNA polymerase kappa, putative	0.0019	0.2093	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.2093	0.5
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.2093	0.5
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.2093	0.1656
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.2093	0.5
Giardia lamblia	DINP protein human, muc B family	0.0019	0.2093	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Brugia malayi	Plexin repeat family protein	0.0035	0.7733	0.7608
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2093	0.1656
Onchocerca volvulus		0.0035	0.7733	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.2093	0.5
Echinococcus granulosus	dna polymerase eta	0.0019	0.2093	0.1656
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.2093	0.5
Schistosoma mansoni	plexin	0.002	0.2558	0.2822
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.2093	0.1656
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.2093	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.2093	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trypanosoma brucei	unspecified product	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.2093	0.2177
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.2093	0.1656
Echinococcus multilocularis	plexin a4	0.0041	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.2093	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.2093	0.5
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.2093	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.2093	0.2177
Schistosoma mansoni	DNA polymerase eta	0.0019	0.2093	0.2177
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.7733	0.7608
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.2093	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.2093	0.5
Leishmania major	DNA polymerase eta, putative	0.0019	0.2093	0.5
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.2093	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.2093	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.974	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)	-5.56	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)	-5.496	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)	-5.43	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.086	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)	-4.957	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)	-4.89	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
GI50 (functional)	-4.863	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)	-4.733	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

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: CHEMBL1989441

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 1606671