Detailed information for compound 1283386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.727 | Formula: C15H17ClNO3P
  • H donors: 1 H acceptors: 1 LogP: 3.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)OP(=O)(OCCCc1ccccc1)N
  • InChi: 1S/C15H17ClNO3P/c16-14-8-10-15(11-9-14)20-21(17,18)19-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H2,17,18)
  • InChiKey: BQWSSVDFXIXEPN-UHFFFAOYSA-N  

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 l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415

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
Loa Loa (eye worm) acetylcholinesterase 1 0.0442 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0075 0 0.5
Onchocerca volvulus 0.0075 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0442 1 1
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0075 0 0.5
Echinococcus granulosus acetylcholinesterase 0.0442 1 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4145 0.4145
Schistosoma mansoni hypothetical protein 0.035 0.7498 0.7498
Onchocerca volvulus 0.0075 0 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4145 0.4145
Loa Loa (eye worm) hypothetical protein 0.0442 1 1
Brugia malayi Carboxylesterase family protein 0.0442 1 1
Echinococcus granulosus acetylcholinesterase 0.0442 1 1
Echinococcus multilocularis acetylcholinesterase 0.0442 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0442 1 1
Onchocerca volvulus 0.0075 0 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0075 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0442 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0075 0 0.5
Onchocerca volvulus 0.0075 0 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0075 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0442 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0075 0 0.5
Echinococcus multilocularis acetylcholinesterase 0.0442 1 1
Onchocerca volvulus 0.0075 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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

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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