Detailed information for compound 1553524

Basic information

Technical information
  • TDR Targets ID: 1553524
  • Name: 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropane -1-carboxylic acid
  • MW: 274.1 | Formula: C11H9Cl2NO3
  • H donors: 2 H acceptors: 3 LogP: 2.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O
  • InChi: 1S/C11H9Cl2NO3/c12-6-1-2-8(7(13)5-6)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
  • InChiKey: GLWWLNJJJCTFMZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[[(2,4-dichlorophenyl)amino]-oxomethyl]-1-cyclopropanecarboxylic acid
  • 1-[(2,4-dichlorophenyl)carbamoyl]cyclopropanecarboxylic acid
  • NCGC00163849-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) TOPoisomerase family member 0.0122 0.1643 1
Trypanosoma brucei DNA topoisomerase ii 0.0302 0.5398 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0122 0.1643 0.5
Leishmania major mitochondrial DNA topoisomerase II 0.0302 0.5398 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0122 0.1643 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.0122 0.1643 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0302 0.5398 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0523 1 1
Schistosoma mansoni DNA topoisomerase II 0.0122 0.1643 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0523 1 0.5
Mycobacterium ulcerans DNA gyrase subunit B 0.0523 1 0.5
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.018 0.2849 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0523 1 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0523 1 0.5
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0122 0.1643 0.5
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0122 0.1643 1
Brugia malayi Probable DNA topoisomerase II 0.0122 0.1643 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0122 0.1643 0.5
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0523 1 0.5
Giardia lamblia DNA topoisomerase II 0.0106 0.1301 0.5
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0302 0.5398 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0122 0.1643 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0122 0.1643 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0302 0.5398 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0122 0.1643 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.4541 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.8707 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of estrogen receptor alpha signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.3365 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.3365 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway measured by Nrf2-dependant transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.5412 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 43.6412 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS assay for environmental chemicals that activate the Aryl hydrocarbon Receptor (AhR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS assay for small molecule activators of the p53 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 54.4827 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 54.941 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.1306 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (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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