Detailed information for compound 799335

Basic information

Technical information
  • TDR Targets ID: 799335
  • Name: N-(2-methylpropyl)-9-oxofluorene-4-carboxamid e
  • MW: 279.333 | Formula: C18H17NO2
  • H donors: 1 H acceptors: 2 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNC(=O)c1cccc2c1c1ccccc1C2=O)C
  • InChi: 1S/C18H17NO2/c1-11(2)10-19-18(21)15-9-5-8-14-16(15)12-6-3-4-7-13(12)17(14)20/h3-9,11H,10H2,1-2H3,(H,19,21)
  • InChiKey: BASZEXFXUWLJOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isobutyl-9-oxo-fluorene-4-carboxamide
  • N-isobutyl-9-oxo-4-fluorenecarboxamide
  • N-isobutyl-9-keto-fluorene-4-carboxamide
  • N-(2-methylpropyl)-9-oxo-fluorene-4-carboxamide
  • ZINC00116888
  • AO-080/43342569
  • A3355/0142413
  • 9H-Fluorene-4-carboxylic acid, 9-oxo-, isobutylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Schistosoma mansoni hypothetical protein 0.0482 0.4479 0.4479
Brugia malayi Muscleblind-like protein 0.018 0.1398 0.42
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0482 0.4479 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.1153 0.456
Loa Loa (eye worm) hypothetical protein 0.0291 0.2529 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0482 0.4479 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1398 0.5529
Giardia lamblia Rrm3p helicase 0.0482 0.4479 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.003 0.003
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0482 0.4479 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.003 0.0068
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3281 0.7325
Echinococcus multilocularis muscleblind protein 1 0.018 0.1398 0.3122
Toxoplasma gondii hypothetical protein 0.0059 0.0157 1
Echinococcus multilocularis muscleblind protein 0.018 0.1398 0.3122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.003 0.0091
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.008 0.0178
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0482 0.4479 1
Onchocerca volvulus 0.0043 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0482 0.4479 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0482 0.4479 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1319 0.2945
Mycobacterium ulcerans hypothetical protein 0.0192 0.1518 1
Onchocerca volvulus 0.0043 0 0.5
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0482 0.4479 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1518 0.6343
Echinococcus granulosus muscleblind protein 0.018 0.1398 0.3122
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0482 0.4479 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1398 0.5529
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3281 0.7325
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1319 0.2945
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0369 0.3329 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0482 0.4479 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.003 0.0068
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1319 0.2945
Entamoeba histolytica hypothetical protein, conserved 0.0482 0.4479 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0194 0.0434
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.008 0.0178
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3281 0.7325
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0135 0.0932 0.0932
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0482 0.4479 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.003 0.012
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.003 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.003 0.003
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.003 0.0068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.003 0.003
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3281 0.7325
Loa Loa (eye worm) hypothetical protein 0.0078 0.0354 0.1398
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.008 0.0178
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0482 0.4479 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2393 1
Onchocerca volvulus 0.0043 0 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.008 0.0178

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (binding) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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