Detailed information for compound 1533802

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.871 | Formula: C24H19ClN2O5
  • H donors: 4 H acceptors: 5 LogP: 4.16 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=CC(=O)C(=O)NNC(=O)C(c1ccccc1)(c1ccccc1)O)O
  • InChi: 1S/C24H19ClN2O5/c25-19-13-11-16(12-14-19)20(28)15-21(29)22(30)26-27-23(31)24(32,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,28,32H,(H,26,30)(H,27,31)
  • InChiKey: GWQCVBGYWYPRMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi RNA 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
Schistosoma mansoni 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
Echinococcus multilocularis tar DNA binding protein 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) 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi 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
Schistosoma mansoni tar DNA-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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni bromodomain containing protein 0.0069 0.3036 0.8602
Loa Loa (eye worm) RNA binding protein 0.0076 0.3509 0.3509
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.1216 0.3219
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0325 0.0584
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.2798 0.7897
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2511 0.2132
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3509 0.3509
Loa Loa (eye worm) hypothetical protein 0.0042 0.1378 0.1378
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3509 0.3509
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.2798 0.7897
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2511 0.2511
Brugia malayi Bromodomain containing protein 0.0042 0.1373 0.0936
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.1216 0.3219
Loa Loa (eye worm) hypothetical protein 0.0044 0.1536 0.1536
Brugia malayi TAR-binding protein 0.0076 0.3509 0.318
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1663 0.1663
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0325 0.0584
Brugia malayi Bromodomain containing protein 0.0082 0.3816 0.3503
Loa Loa (eye worm) hypothetical protein 0.0077 0.3532 0.3532
Schistosoma mansoni hypothetical protein 0.0022 0.0198 0.0208
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3509 0.318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1344 0.0906
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 1
Onchocerca volvulus 0.0182 1 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0325 0.0584
Loa Loa (eye worm) hypothetical protein 0.006 0.2511 0.2511
Brugia malayi RNA binding protein 0.0076 0.3509 0.318
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.3509 1
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0198 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3509 1
Schistosoma mansoni hypothetical protein 0.0041 0.1344 0.3599
Loa Loa (eye worm) hypothetical protein 0.0041 0.1344 0.1344
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3509 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2511 0.2132

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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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