Detailed information for compound 1423608

Basic information

Technical information
  • TDR Targets ID: 1423608
  • Name: 4-chloro-N-(2-diethylaminoethylcarbamoyl)benz amide
  • MW: 297.781 | Formula: C14H20ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 2.76 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)NC(=O)c1ccc(cc1)Cl)CC
  • InChi: 1S/C14H20ClN3O2/c1-3-18(4-2)10-9-16-14(20)17-13(19)11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,19,20)
  • InChiKey: WUIZSOOPVQCVMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[(2-diethylaminoethylamino)-oxomethyl]benzamide
  • MLS000699489
  • N-(4-chlorobenzoyl)-N'-[2-(diethylamino)ethyl]urea
  • SMR000230057
  • AP-906/42709279

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide 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
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0037 0.1203 0.36
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.224 0.224
Echinococcus granulosus tar DNA binding protein 0.0072 0.3342 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0002 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.3342 0.3342
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3342 1
Brugia malayi hypothetical protein 0.0018 0.0033 0.0033
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.3342 0.3342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0002 0.0005
Brugia malayi hypothetical protein 0.0027 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.0027 0.062 0.062
Echinococcus multilocularis tar DNA binding protein 0.0072 0.3342 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0002 0.5
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3342 1
Loa Loa (eye worm) hypothetical protein 0.0182 1 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3342 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.224 0.224
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3342 1
Leishmania major hypothetical protein, conserved 0.0027 0.062 1
Loa Loa (eye worm) RNA binding protein 0.0072 0.3342 0.3342
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.062 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1203 0.1203
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0002 0.0005
Schistosoma mansoni tar DNA-binding protein 0.0072 0.3342 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0002 0.0005
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1203 0.1203
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.062 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.062 1
Onchocerca volvulus 0.0182 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.224 0.224
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.062 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.062 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0002 0.0005
Loa Loa (eye worm) TAR-binding protein 0.0072 0.3342 0.3342
Brugia malayi RNA binding protein 0.0072 0.3342 0.3342
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.062 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0002 0.0002
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.062 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.224 0.224
Brugia malayi isocitrate dehydrogenase 0.0017 0.0002 0.0002
Brugia malayi TAR-binding protein 0.0072 0.3342 0.3342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 63.0957 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) 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

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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