Detailed information for compound 892390

Basic information

Technical information
  • TDR Targets ID: 892390
  • Name: 3-[(4-fluorophenyl)amino]indol-2-one
  • MW: 240.232 | Formula: C14H9FN2O
  • H donors: 1 H acceptors: 1 LogP: 2.65 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N=C1C(=O)Nc2c1cccc2
  • InChi: 1S/C14H9FN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
  • InChiKey: NXPXTHPLHCNMOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-fluorophenyl)amino]-2-indolone
  • 21231-47-0
  • AG-205/33119006
  • Oprea1_631007
  • NSC117190
  • ZINC00047771
  • ZINC04709388
  • Oprea1_453652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 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 Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1435 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.1435 0.3857
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1435 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0133 0.0358
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1435 0.203
Loa Loa (eye worm) glycogen phosphorylase 0.0106 0.3721 0.5547
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1435 0.3811
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Schistosoma mansoni cpg binding protein 0.0037 0.1186 0.3136
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0238 0.0123
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Onchocerca volvulus 0.0043 0.1435 0.0595
Giardia lamblia Glycogen phosphorylase 0.0106 0.3721 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1435 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0238 0.0123
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1865 0.2714
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.2248 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1435 0.3857
Schistosoma mansoni cpg binding protein 0.0035 0.1114 0.2941
Loa Loa (eye worm) hypothetical protein 0.018 0.644 0.9878
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1865 0.2714
Echinococcus granulosus Glycosyl transferase family 35 0.0106 0.3721 0.5669
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1865 0.2714
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.3721 0.5669
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1435 0.3811
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0133 0.0358
Brugia malayi hypothetical protein 0.0182 0.6516 1
Echinococcus granulosus cpg binding protein 0.0037 0.1186 0.1633
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1435 0.3857
Onchocerca volvulus 0.0182 0.6516 1
Loa Loa (eye worm) hypothetical protein 0.018 0.644 0.9878
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.3721 1
Brugia malayi Muscleblind-like protein 0.018 0.644 0.9879
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Loa Loa (eye worm) hypothetical protein 0.0182 0.6516 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.644 1
Echinococcus multilocularis muscleblind protein 0.018 0.644 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1435 0.5
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.1521 0.01
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Echinococcus granulosus glycogen phosphorylase 0.0106 0.3721 0.5669
Onchocerca volvulus 0.0043 0.1435 0.0595
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.3721 0.5669
Brugia malayi carbohydrate phosphorylase 0.0106 0.3721 0.5551
Chlamydia trachomatis glycogen phosphorylase 0.0106 0.3721 0.5
Schistosoma mansoni glycogen phosphorylase 0.0106 0.3721 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Echinococcus granulosus glycogen phosphorylase 0.0106 0.3721 0.5669
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Loa Loa (eye worm) beta-lactamase 0.0043 0.1435 0.1907
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1435 0.3857
Schistosoma mansoni glycogen phosphorylase 0.0106 0.3721 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0106 0.3721 0.5669
Trichomonas vaginalis helicase, putative 0.0008 0.0133 0.0358
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.3721 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1865 0.4975
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1865 0.2591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1865 0.4975
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1435 0.3857
Brugia malayi beta-lactamase 0.0043 0.1435 0.1913
Echinococcus granulosus muscleblind protein 0.018 0.644 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1865 0.4975
Leishmania major hypothetical protein, conserved 0.0043 0.1435 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.1435 0.1913
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Mycobacterium leprae Probable lipase LipE 0.0043 0.1435 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1435 0.1913
Loa Loa (eye worm) hypothetical protein 0.0043 0.1435 0.1907
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1865 0.2714
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.2535 0.6789
Brugia malayi beta-lactamase family protein 0.0043 0.1435 0.1913
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.3721 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Brugia malayi CXXC zinc finger family protein 0.0035 0.1114 0.1401
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1865 0.2597
Onchocerca volvulus Glycogen phosphorylase homolog 0.0106 0.3721 0.4825
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0161 0.036
Echinococcus multilocularis cpg binding protein 0.0037 0.1186 0.1633
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1435 0.3857
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1435 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Onchocerca volvulus 0.0043 0.1435 0.0595
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1435 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0133 0.0358
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.1521 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.3721 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1435 0.1907
Schistosoma mansoni glycogen phosphorylase 0.0046 0.1521 0.4044
Schistosoma mansoni cpg binding protein 0.0037 0.1186 0.3136
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0133 0.0358
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1114 0.1395

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 40 uM PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1966, AID2569] ChEMBL. No reference
IC50 (functional) = 24.351 um PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays: 2569, 2521 ] ChEMBL. No reference
Potency (functional) 0.8913 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) = 1.7783 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 (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (binding) 19.9526 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 47.7548 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 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
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

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

Bibliographic References

No literature references available for this target.

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