Detailed information for compound 734034

Basic information

Technical information
  • TDR Targets ID: 734034
  • Name: N-[4-[[2-(methyl-naphthalen-2-ylsulfonylamino )acetyl]amino]phenyl]acetamide
  • MW: 411.474 | Formula: C21H21N3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc2c(c1)cccc2)C)Nc1ccc(cc1)NC(=O)C
  • InChi: 1S/C21H21N3O4S/c1-15(25)22-18-8-10-19(11-9-18)23-21(26)14-24(2)29(27,28)20-12-7-16-5-3-4-6-17(16)13-20/h3-13H,14H2,1-2H3,(H,22,25)(H,23,26)
  • InChiKey: LYINMVWJKZFFOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[2-(methyl-(2-naphthylsulfonyl)amino)acetyl]amino]phenyl]acetamide
  • N-[4-[[2-(methyl-(2-naphthylsulfonyl)amino)-1-oxoethyl]amino]phenyl]acetamide
  • N-[4-[2-(methyl-naphthalen-2-ylsulfonyl-amino)ethanoylamino]phenyl]ethanamide
  • CBKinase1_005599
  • ZINC01113433
  • CBKinase1_017999

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Echinococcus multilocularis geminin 0.0188 0.6742 1
Brugia malayi Latrophilin receptor protein 2 0.0051 0.1309 0.1309
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0689 0.5
Schistosoma mansoni hypothetical protein 0.0111 0.3676 0.5453
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0689 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0689 0.1022
Schistosoma mansoni tar DNA-binding protein 0.0143 0.4963 0.7361
Mycobacterium ulcerans lipase LipD 0.0036 0.0689 0.5
Mycobacterium ulcerans beta-lactamase 0.0036 0.0689 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.1309 0.1941
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.1309 0.1941
Schistosoma mansoni hypothetical protein 0.0188 0.6742 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Schistosoma mansoni hypothetical protein 0.0051 0.1309 0.1941
Loa Loa (eye worm) MH2 domain-containing protein 0.027 1 1
Schistosoma mansoni tar DNA-binding protein 0.0143 0.4963 0.7361
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Echinococcus multilocularis GPCR, family 2 0.0051 0.1309 0.1941
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0689 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0689 0.1022
Loa Loa (eye worm) hypothetical protein 0.0111 0.3676 0.3676
Echinococcus granulosus geminin 0.0188 0.6742 1
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0689 0.5
Trichomonas vaginalis esterase, putative 0.0036 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0162 0.5716 0.5716
Loa Loa (eye worm) hypothetical protein 0.0051 0.1309 0.1309
Brugia malayi beta-lactamase family protein 0.0036 0.0689 0.0689
Schistosoma mansoni tar DNA-binding protein 0.0143 0.4963 0.7361
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.1309 0.1941
Loa Loa (eye worm) TAR-binding protein 0.0143 0.4963 0.4963
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0689 0.0689
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0689 0.1022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0162 0.5716 0.5716
Schistosoma mansoni hypothetical protein 0.0051 0.1309 0.1941
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0689 0.5
Echinococcus granulosus GPCR family 2 0.0051 0.1309 0.1941
Mycobacterium leprae Probable lipase LipE 0.0036 0.0689 0.5
Brugia malayi TAR-binding protein 0.0143 0.4963 0.4963
Brugia malayi RNA binding protein 0.0143 0.4963 0.4963
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0143 0.4963 0.4963
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Onchocerca volvulus 0.0036 0.0689 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0162 0.5716 0.5716
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.1309 0.1309
Mycobacterium ulcerans hypothetical protein 0.0036 0.0689 0.5
Schistosoma mansoni tar DNA-binding protein 0.0143 0.4963 0.7361
Onchocerca volvulus 0.0036 0.0689 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0689 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0143 0.4963 0.4963
Loa Loa (eye worm) hypothetical protein 0.0162 0.5716 0.5716
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.8342 1
Echinococcus multilocularis tar DNA binding protein 0.0143 0.4963 0.7361
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.3676 0.3676
Schistosoma mansoni hypothetical protein 0.0051 0.1309 0.1941
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.1309 0.1309
Leishmania major hypothetical protein, conserved 0.0036 0.0689 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0689 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0689 0.0689
Brugia malayi beta-lactamase family protein 0.0036 0.0689 0.0689
Schistosoma mansoni hypothetical protein 0.0051 0.1309 0.1941
Schistosoma mansoni tar DNA-binding protein 0.0143 0.4963 0.7361
Brugia malayi beta-lactamase 0.0036 0.0689 0.0689
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0689 0.5
Loa Loa (eye worm) beta-lactamase 0.0036 0.0689 0.0689
Toxoplasma gondii ABC1 family protein 0.0036 0.0689 0.5
Echinococcus granulosus tar DNA binding protein 0.0143 0.4963 0.7361
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0689 0.1022
Onchocerca volvulus 0.0036 0.0689 0.5
Loa Loa (eye worm) RNA binding protein 0.0143 0.4963 0.4963
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0689 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0689 0.0689
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.1309 0.1941
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0689 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0689 0.5
Schistosoma mansoni hypothetical protein 0.0188 0.6742 1
Loa Loa (eye worm) transcription factor SMAD2 0.027 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.7157 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
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) 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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