Detailed information for compound 1495897

Basic information

Technical information
  • TDR Targets ID: 1495897
  • Name: 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5- yl]methyl]furan-2-carboxamide
  • MW: 376.208 | Formula: C15H14BrN5O2
  • H donors: 1 H acceptors: 4 LogP: 3.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(o1)C(=O)NCc1nnnn1c1ccc(c(c1)C)C
  • InChi: 1S/C15H14BrN5O2/c1-9-3-4-11(7-10(9)2)21-14(18-19-20-21)8-17-15(22)12-5-6-13(16)23-12/h3-7H,8H2,1-2H3,(H,17,22)
  • InChiKey: KUJCMSHKHVWIRG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-2-furancarboxamide
  • 5-bromo-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-furamide
  • 5-bromo-N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]furan-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.1027 0.1448
Schistosoma mansoni hypothetical protein 0.0205 0.7093 1
Plasmodium vivax SET domain protein, putative 0.0036 0.1074 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2518 0.3551
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.019 0.0211
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.1773 0.1967
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0416 0.0586
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2518 0.3551
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.019 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.019 0.0211
Echinococcus granulosus GPCR family 2 0.0018 0.0416 0.0586
Schistosoma mansoni hypothetical protein 0.0018 0.0416 0.0586
Loa Loa (eye worm) RNA binding protein 0.0076 0.2518 0.2794
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0041 0.126 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0041 0.126 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0041 0.126 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.019 0.0268
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.019 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.019 0.0211
Loa Loa (eye worm) hypothetical protein 0.0056 0.1773 0.1967
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.9013 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.1773 0.1967
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.019 0.0268
Echinococcus granulosus tar DNA binding protein 0.0076 0.2518 0.3551
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2518 0.2794
Loa Loa (eye worm) hypothetical protein 0.0036 0.1074 0.1192
Schistosoma mansoni coup transcription factor 0.0011 0.019 0.0268
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.126 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.019 0.0268
Brugia malayi nuclear hormone receptor 0.0011 0.019 0.0211
Onchocerca volvulus 0.0036 0.1074 0.0902
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.019 0.0268
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.122 0.172
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1759 0.2481
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2518 0.3551
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.019 0.0268
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.019 0.0268
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0041 0.126 0.1777
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.019 0.0211
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0416 0.0461
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.1074 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.019 0.0268
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Echinococcus granulosus geminin 0.0205 0.7093 1
Brugia malayi ecdysteroid receptor 0.0011 0.019 0.0211
Brugia malayi hypothetical protein 0.004 0.122 0.1354
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0041 0.126 0.1777
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2518 0.2794
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.1773 0.1967
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.1074 0.1515
Echinococcus granulosus ubiquitin specific protease 41 0.0041 0.126 0.1777
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.876 0.972
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0041 0.126 0.1398
Brugia malayi RNA binding protein 0.0076 0.2518 0.2794
Schistosoma mansoni transcription factor LCR-F1 0.004 0.122 0.172
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.019 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.019 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.019 0.0211
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.019 0.0268
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.126 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.019 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.019 0.0211
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.1074 0.1515
Brugia malayi Pre-SET motif family protein 0.0251 0.876 0.972
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1759 0.2481
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.019 0.0211
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.019 0.0211
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1074 0.1515
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.1074 0.1515
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1074 0.1515
Echinococcus multilocularis ubiquitin specific protease 41 0.0041 0.126 0.1777
Brugia malayi TAR-binding protein 0.0076 0.2518 0.2794
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1145 0.127
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.019 0.0211
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2518 0.3551
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0416 0.0461
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.019 0.0268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1759 0.2481
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.019 0.0268
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0041 0.126 0.1777
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.019 0.0211
Schistosoma mansoni hypothetical protein 0.0038 0.1145 0.1614
Echinococcus granulosus FTZ F1 alpha 0.0011 0.019 0.0268
Loa Loa (eye worm) hypothetical protein 0.0038 0.1145 0.127
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.019 0.0211
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2518 0.3551
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.019 0.0268
Brugia malayi steroid hormone receptor 0.0011 0.019 0.0211
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.019 0.0268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.019 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1759 0.2481
Schistosoma mansoni hypothetical protein 0.0205 0.7093 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0041 0.126 0.1777
Schistosoma mansoni hypothetical protein 0.0018 0.0416 0.0586
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.019 0.0211
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.019 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.019 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0011 0.019 0.0268
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.019 0.0268
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0041 0.126 0.1777
Brugia malayi nuclear receptor NHR-88 0.0011 0.019 0.0211
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1759 0.2481
Brugia malayi Pre-SET motif family protein 0.0036 0.1074 0.1192
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0041 0.126 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.019 0.0268
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0416 0.0586
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2518 0.3551
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.1074 0.1515
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0416 0.0586
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.122 0.172
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.019 0.0268
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.019 0.0268
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.1074 0.1515
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.019 0.0268
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.019 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.019 0.0211
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0416 0.0461
Schistosoma mansoni hypothetical protein 0.0018 0.0416 0.0586
Schistosoma mansoni hypothetical protein 0.004 0.122 0.172
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.019 0.0268
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.019 0.0211
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.019 0.0268
Loa Loa (eye worm) hypothetical protein 0.0041 0.126 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.019 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0011 0.019 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.019 0.0211
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.019 0.0211
Schistosoma mansoni nuclear hormone receptor 0.0011 0.019 0.0268
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.019 0.0268
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1759 0.1952
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.019 0.0211
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1759 0.1952
Loa Loa (eye worm) hypothetical protein 0.0018 0.0416 0.0461
Brugia malayi follicle stimulating hormone receptor 0.0258 0.9013 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2518 0.2794
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0041 0.126 0.1777
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0416 0.0586
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Echinococcus multilocularis geminin 0.0205 0.7093 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1759 0.2481
Schistosoma mansoni hypothetical protein 0.0018 0.0416 0.0586
Loa Loa (eye worm) hypothetical protein 0.0011 0.019 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1759 0.2481
Echinococcus multilocularis GPCR, family 2 0.0018 0.0416 0.0586
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.019 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.019 0.0211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.019 0.0268

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Bibliographic References

No literature references available for this target.

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