Detailed information for compound 1477355

Basic information

Technical information
  • TDR Targets ID: 1477355
  • Name: STK266553
  • MW: 383.312 | Formula: C18H13N3O7
  • H donors: 2 H acceptors: 7 LogP: 1.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-])NCc1ccc(cc1)C(=O)O
  • InChi: 1S/C18H13N3O7/c22-15(19-8-10-1-3-11(4-2-10)18(25)26)9-20-16(23)13-6-5-12(21(27)28)7-14(13)17(20)24/h1-7H,8-9H2,(H,19,22)(H,25,26)
  • InChiKey: JFAXKIHFSWPYED-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid
  • MLS001000801
  • SMR000498043

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0116 0.6021 0.6021
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0036 0.1083 0.1083
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0048 0.1841 0.1841
Echinococcus granulosus muscleblind protein 0.018 1 1
Echinococcus multilocularis conserved hypothetical protein 0.0036 0.1083 0.1083
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0043 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1083 0.1083
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 0.6021 0.6021
Brugia malayi Voltage-gated potassium channel, Shal-family (KCND, Kv4-like) alpha-subunit. C. elegans shl-1 ortholog 0.0095 0.4715 0.4715
Echinococcus granulosus potassium voltage gated channel protein 0.0105 0.5383 0.5383
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.2079 0.3862
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0105 0.5383 0.5383
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0105 0.5383 0.5383
Echinococcus granulosus potassium voltage gated channel protein 0.0036 0.1083 0.1083
Loa Loa (eye worm) voltage-gated potassium channel 0.0027 0.0549 0.0549
Schistosoma mansoni voltage-gated potassium channel 0.0105 0.5383 1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0043 0.1505 0.1505
Schistosoma mansoni voltage-gated potassium channel 0.0095 0.4715 0.8758
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0048 0.1841 0.1841
Schistosoma mansoni voltage-gated potassium channel 0.0103 0.5249 0.975
Echinococcus granulosus potassium voltage gated channel protein 0.0103 0.5249 0.5249
Loa Loa (eye worm) hypothetical protein 0.0042 0.1499 0.1499
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1307 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1083 0.1083
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0036 0.1083 0.1083
Echinococcus multilocularis potassium voltage gated channel protein 0.0105 0.5383 0.5383
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0099 0.4962 0.4962
Loa Loa (eye worm) Kv4.2 voltage-gated potassium channel 0.0034 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0105 0.5383 0.5383
Echinococcus multilocularis muscleblind protein 0.018 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.2079 0.3862
Schistosoma mansoni voltage-gated potassium channel 0.0105 0.5383 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0103 0.5249 0.5249
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0048 0.1841 0.1841
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0048 0.1841 0.1841

Activities

Activity type Activity value Assay description Source 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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
Homo sapiens 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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