Detailed information for compound 1448151

Basic information

Technical information
  • TDR Targets ID: 1448151
  • Name: N-[2-[(2-ethylphenyl)amino]-2-oxoethyl]-3-(ph enylcarbamoylamino)propanamide
  • MW: 368.43 | Formula: C20H24N4O3
  • H donors: 4 H acceptors: 3 LogP: 1.88 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)CNC(=O)CCNC(=O)Nc1ccccc1
  • InChi: 1S/C20H24N4O3/c1-2-15-8-6-7-11-17(15)24-19(26)14-22-18(25)12-13-21-20(27)23-16-9-4-3-5-10-16/h3-11H,2,12-14H2,1H3,(H,22,25)(H,24,26)(H2,21,23,27)
  • InChiKey: RYRUUCNJJRCLOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(2-ethylphenyl)amino]-2-oxo-ethyl]-3-(phenylcarbamoylamino)propanamide
  • N-[2-[(2-ethylphenyl)amino]-2-oxoethyl]-3-[[oxo-(phenylamino)methyl]amino]propanamide
  • N-[2-[(2-ethylphenyl)amino]-2-keto-ethyl]-3-(phenylcarbamoylamino)propionamide
  • T5523900

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1709 0.2142
Schistosoma mansoni tar DNA-binding protein 0.0065 0.059 0.0577
Onchocerca volvulus Huntingtin homolog 0.0122 0.1469 0.2156
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0497 0.1013
Mycobacterium ulcerans beta-lactamase 0.0043 0.0269 0.029
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.3283 0.3283
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0269 0.0171
Trichomonas vaginalis esterase, putative 0.0043 0.0269 0.0162
Mycobacterium ulcerans lipase LipD 0.0043 0.0269 0.029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.1709 0.5207
Schistosoma mansoni lamin 0.0054 0.0423 0.0343
Entamoeba histolytica cdc48-like protein, putative 0.0387 0.5512 1
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.6876 0.6876
Echinococcus granulosus lamin 0.0054 0.0423 0.0423
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.0497 0.0447
Schistosoma mansoni hypothetical protein 0.0049 0.0355 0.0248
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0269 0.029
Echinococcus multilocularis lamin 0.0054 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Schistosoma mansoni tar DNA-binding protein 0.0065 0.059 0.0577
Loa Loa (eye worm) VCP protein 0.0169 0.218 0.6642
Schistosoma mansoni survival motor neuron protein 0.0049 0.0355 0.0248
Loa Loa (eye worm) beta-lactamase 0.0043 0.0269 0.082
Schistosoma mansoni tar DNA-binding protein 0.0065 0.059 0.0577
Loa Loa (eye worm) TAR-binding protein 0.0065 0.059 0.1798
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0269 0.0697
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0269 0.0162
Loa Loa (eye worm) vesicle-fusing ATPase 0.0239 0.3257 0.9922
Echinococcus multilocularis musashi 0.0054 0.0423 0.0423
Leishmania major hypothetical protein, conserved 0.0043 0.0269 0.0171
Toxoplasma gondii cell division protein CDC48AP 0.0244 0.3332 0.5578
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0408 0.5832 0.5832
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Brugia malayi beta-lactamase 0.0043 0.0269 0.0697
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.1709 0.5143
Brugia malayi TAR-binding protein 0.0065 0.059 0.1688
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0269 0.082
Loa Loa (eye worm) hypothetical protein 0.0122 0.1469 0.4474
Loa Loa (eye worm) hypothetical protein 0.01 0.1127 0.3432
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.0497 0.0599
Echinococcus multilocularis lamin dm0 0.0054 0.0423 0.0423
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0408 0.5832 0.5832
Onchocerca volvulus 0.0054 0.0423 0.0277
Giardia lamblia AAA family ATPase 0.0244 0.3332 1
Schistosoma mansoni lamin 0.0054 0.0423 0.0343
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0408 0.5832 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0269 0.0249
Schistosoma mansoni intermediate filament proteins 0.0054 0.0423 0.0343
Mycobacterium ulcerans hypothetical protein 0.0043 0.0269 0.029
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.3283 0.3283
Brugia malayi beta-lactamase family protein 0.0043 0.0269 0.0697
Onchocerca volvulus Huntingtin homolog 0.0122 0.1469 0.2156
Schistosoma mansoni tar DNA-binding protein 0.0065 0.059 0.0577
Mycobacterium leprae Probable lipase LipE 0.0043 0.0269 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0269 0.0171
Echinococcus granulosus intermediate filament protein 0.0054 0.0423 0.0423
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1709 0.1709
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0244 0.3332 0.5578
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0269 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0497 0.0497
Brugia malayi beta-lactamase family protein 0.0043 0.0269 0.0697
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.3244 0.9883
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0269 0.0171
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0269 0.029
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0269 0.0269
Onchocerca volvulus 0.0049 0.0355 0.0155
Toxoplasma gondii cell division protein CDC48CY 0.0408 0.5832 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0269 0.0162
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0178 0.0178
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0269 0.0249
Mycobacterium tuberculosis Conserved protein 0.0043 0.0269 0.0249
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0169 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0054 0.0423 0.1289
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0408 0.5832 0.7908
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0269 0.0171
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0269 0.0269
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.0497 0.0871
Mycobacterium tuberculosis Conserved protein 0.0043 0.0269 0.0249
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0269 0.0249
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0423 0.1289
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.1709 0.1709
Mycobacterium tuberculosis Putative conserved ATPase 0.0244 0.3332 0.8595
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0387 0.5512 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0408 0.5832 1
Mycobacterium ulcerans ATPase 0.0244 0.3332 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0269 0.0162
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1709 0.1709
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.0497 0.0497
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0387 0.5512 1
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0178 0.0415
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0437 0.1332
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0423 0.1289
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3847 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.3257 0.9922
Echinococcus multilocularis geminin 0.0506 0.7328 0.7328
Plasmodium vivax cell division cycle ATPase, putative 0.0148 0.186 0.3153
Schistosoma mansoni cellular tumor antigen P53 0.01 0.1127 0.1327
Onchocerca volvulus 0.0054 0.0423 0.0277
Brugia malayi hypothetical protein 0.0241 0.3283 1
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0096 0.1077 0.1591
Echinococcus granulosus lamin dm0 0.0054 0.0423 0.0423
Schistosoma mansoni hypothetical protein 0.0506 0.7328 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1709 0.2142
Brugia malayi valosin containing protein 0.0239 0.3257 0.9921
Brugia malayi intermediate filament protein 0.0054 0.0423 0.1172
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0387 0.5512 0.746
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Mycobacterium tuberculosis Conserved protein 0.0043 0.0269 0.0249
Loa Loa (eye worm) hypothetical protein 0.0053 0.0408 0.1244
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.6876 0.6876
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0178 0.0178
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0269 0.0249
Schistosoma mansoni hypothetical protein 0.0506 0.7328 1
Echinococcus granulosus neuropeptide s receptor 0.0476 0.6876 0.6876
Echinococcus granulosus geminin 0.0506 0.7328 0.7328
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0096 0.1077 0.1591
Brugia malayi vesicle-fusing ATPase 0.0239 0.3257 0.9921
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0355 0.0963
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0269 0.0249
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0269 0.0162
Loa Loa (eye worm) RNA binding protein 0.0065 0.059 0.1798
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0497 0.1401
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0043 0.0132
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0269 0.0128
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0423 0.1172
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.059 0.1798
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0169 0.218 0.2801
Loa Loa (eye worm) hypothetical protein 0.0241 0.3283 1
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0269 0.0249
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.0497 0.1013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0269 0.0128
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.059 0.1688
Brugia malayi follicle stimulating hormone receptor 0.0238 0.3244 0.9882
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0169 0.218 0.6597
Trypanosoma cruzi Valosin-containing protein, putative 0.0387 0.5512 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0269 0.0162
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0387 0.5512 1
Brugia malayi hypothetical protein 0.0122 0.1469 0.44
Echinococcus multilocularis tumor protein p63 0.0681 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0178 0.0542
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0387 0.5512 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.1709 0.1709
Echinococcus multilocularis tar DNA binding protein 0.0065 0.059 0.059
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0178 0.5
Trypanosoma brucei Valosin-containing protein 0.0387 0.5512 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.1709 0.2142
Echinococcus granulosus tar DNA binding protein 0.0065 0.059 0.059
Brugia malayi RNA binding protein 0.0065 0.059 0.1688
Onchocerca volvulus 0.01 0.1127 0.1541
Loa Loa (eye worm) hypothetical protein 0.0122 0.1469 0.4474
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Schistosoma mansoni tar DNA-binding protein 0.0065 0.059 0.0577
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0178 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0269 0.082
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0269 0.0249
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0269 0.0162
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.6876 0.6876

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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