Detailed information for compound 1478118

Basic information

Technical information
  • TDR Targets ID: 1478118
  • Name: N-[2-(7-bromo-5-methyl-1H-indol-3-yl)ethyl]fu ran-2-carboxamide
  • MW: 347.207 | Formula: C16H15BrN2O2
  • H donors: 2 H acceptors: 1 LogP: 3.74 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(Br)c2c(c1)c(CCNC(=O)c1ccco1)c[nH]2
  • InChi: 1S/C16H15BrN2O2/c1-10-7-12-11(9-19-15(12)13(17)8-10)4-5-18-16(20)14-3-2-6-21-14/h2-3,6-9,19H,4-5H2,1H3,(H,18,20)
  • InChiKey: ZURLLZIXXNHIKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(7-bromo-5-methyl-1H-indol-3-yl)ethyl]-2-furancarboxamide
  • N-[2-(7-bromo-5-methyl-1H-indol-3-yl)ethyl]-2-furamide
  • ZINC02454770
  • Oprea1_105627
  • EU-0033613
  • STOCK4S-36917

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma 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 granulosus guanine nucleotide binding protein Gs subunit 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Brugia malayi RNA 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
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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 japonicum TAR DNA-binding protein 43, putative 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
Loa Loa (eye worm) TAR-binding 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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 multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus multilocularis 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
Loa Loa (eye worm) RNA 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0697 0.4134 0.413
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.1468 0.9259 1
Loa Loa (eye worm) CYP4Cod1 0.0146 0.0467 0.0461
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.1468 0.9259 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0697 0.4134 0.413
Loa Loa (eye worm) hypothetical protein 0.0697 0.4134 0.413
Loa Loa (eye worm) hypothetical protein 0.0104 0.0188 0.0182
Brugia malayi Cytochrome P450 family protein 0.0146 0.0467 0.0461
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0528 0.3007 0.3069
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0223 0.0979 0.0973
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0223 0.0979 0.0979
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0223 0.0979 0.0973
Loa Loa (eye worm) hypothetical protein 0.0697 0.4134 0.413
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0979
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.158 1 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0697 0.4134 0.413
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.1468 0.9259 0.5
Trypanosoma brucei cytochrome P450, putative 0.0146 0.0467 0.0467
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.158 1 1
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0979
Onchocerca volvulus 0.0697 0.4134 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0146 0.0467 0.0461
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0537
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.158 1 1
Onchocerca volvulus Deterin homolog 0.0697 0.4134 0.5
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0537
Echinococcus granulosus inhibitor of apoptosis protein 0.0697 0.4134 0.413
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0223 0.0979 0.0979
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.1468 0.9259 1
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.158 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0537
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0223 0.0979 0.0979
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0223 0.0979 0.082
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.158 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.158 1 1
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0223 0.0979 0.0973
Mycobacterium ulcerans transcriptional regulator NrdR 0.0112 0.0239 0.0259
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0146 0.0467 0.0505
Schistosoma mansoni hypothetical protein 0.0697 0.4134 0.413
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0223 0.0979 0.0973
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.158 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0146 0.0467 0.0461
Schistosoma mansoni inhibitor of apoptosis protein 0.0697 0.4134 0.413
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.158 1 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0223 0.0979 0.082
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0697 0.4134 0.413
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.158 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.045 0.2492 0.2124
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0697 0.4134 0.413
Brugia malayi ribonucleotide reductase 2 0.0223 0.0979 0.0973
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.158 1 1
Mycobacterium leprae conserved hypothetical protein 0.0112 0.0239 0.0259
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.158 1 1
Echinococcus multilocularis inhibitor of apoptosis protein 0.0697 0.4134 0.413
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.158 1 1
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0979
Brugia malayi Cytochrome P450 family protein 0.0146 0.0467 0.0461
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0223 0.0979 0.0758
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.1468 0.9259 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0223 0.0979 0.0537

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 6.3096 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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