Detailed information for compound 651589

Basic information

Technical information
  • TDR Targets ID: 651589
  • Name: 3-(2-chlorophenyl)-N-(2-methoxy-5-nitrophenyl )-5-methyl-1,2-oxazole-4-carboxamide
  • MW: 387.774 | Formula: C18H14ClN3O5
  • H donors: 1 H acceptors: 4 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)c1c(C)onc1c1ccccc1Cl)[N+](=O)[O-]
  • InChi: 1S/C18H14ClN3O5/c1-10-16(17(21-27-10)12-5-3-4-6-13(12)19)18(23)20-14-9-11(22(24)25)7-8-15(14)26-2/h3-9H,1-2H3,(H,20,23)
  • InChiKey: BODPNKYZDOQZIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-chlorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-isoxazole-4-carboxamide
  • 3-(2-chlorophenyl)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-isoxazolecarboxamide
  • 3-(2-chlorophenyl)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-1,2-oxazole-4-carboxamide
  • AG-690/11636126
  • ZINC00728433
  • A2197/0092461

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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0815 0.1199
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Mycobacterium ulcerans hypothetical protein 0.007 0.1247 1
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1247 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0052 0.0835 0.1084
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0246 0.0196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0745 0.0967
Brugia malayi beta-lactamase family protein 0.007 0.1247 0.1834
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0745 0.0967
Onchocerca volvulus 0.007 0.1247 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0052 0.0835 0.1084
Echinococcus granulosus carboxylesterase 5A 0.0311 0.68 0.8825
Onchocerca volvulus 0.0051 0.0806 0.1857
Echinococcus multilocularis carboxylesterase 5A 0.0311 0.68 0.8825
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.023 0.4929 0.7249
Loa Loa (eye worm) acetylcholinesterase 1 0.0311 0.68 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1247 1
Mycobacterium leprae Probable lipase LipE 0.007 0.1247 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0705 0.1037
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.1247 0.1834
Echinococcus granulosus para nitrobenzyl esterase 0.0052 0.0835 0.1084
Onchocerca volvulus 0.0052 0.0835 0.2405
Echinococcus multilocularis BC026374 protein (S09 family) 0.0052 0.0835 0.1084
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0806 0.1185
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0052 0.0835 0.1084
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.4929 0.6397
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.1247 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Brugia malayi Flap endonuclease-1 0.0027 0.0246 0.0361
Brugia malayi Carboxylesterase family protein 0.0052 0.0835 0.1229
Echinococcus granulosus BC026374 protein S09 family 0.0052 0.0835 0.1084
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0246 0.0319
Brugia malayi follicle stimulating hormone receptor 0.0225 0.482 0.7088
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0246 0.0196
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.2478 0.3645
Loa Loa (eye worm) hypothetical protein 0.0026 0.0226 0.0332
Loa Loa (eye worm) hypothetical protein 0.0052 0.0815 0.1199
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0835 0.1229
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0052 0.0835 0.589
Echinococcus granulosus tumor protein p63 0.035 0.7705 1
Mycobacterium ulcerans beta-lactamase 0.007 0.1247 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Loa Loa (eye worm) hypothetical protein 0.0311 0.68 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0052 0.0835 0.589
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1247 1
Mycobacterium tuberculosis Conserved protein 0.007 0.1247 0.0449
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.482 0.7088
Brugia malayi Carboxylesterase family protein 0.0052 0.0835 0.1229
Brugia malayi hypothetical protein 0.0026 0.0226 0.0332
Mycobacterium tuberculosis Conserved protein 0.007 0.1247 0.0449
Loa Loa (eye worm) hypothetical protein 0.0035 0.0438 0.0644
Brugia malayi Carboxylesterase family protein 0.0052 0.0835 0.1229
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.1247 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0438 0.0644
Brugia malayi Carboxylesterase family protein 0.0311 0.68 1
Echinococcus multilocularis acetylcholinesterase 0.0311 0.68 0.8825
Mycobacterium tuberculosis Probable hydrolase 0.007 0.1247 0.0449
Onchocerca volvulus 0.0052 0.0835 0.2405
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0815 0.1199
Trypanosoma brucei hypothetical protein, conserved 0.007 0.1247 1
Echinococcus multilocularis acetylcholinesterase 0.0311 0.68 0.8825
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0745 0.1095
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0246 0.0196
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0705 0.1037
Echinococcus multilocularis tumor protein p63 0.035 0.7705 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0745 0.0967
Brugia malayi hypothetical protein 0.0052 0.0835 0.1229
Echinococcus granulosus acetylcholinesterase 0.0311 0.68 0.8825
Entamoeba histolytica Flap nuclease, putative 0.0027 0.0246 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0806 0.1185
Brugia malayi hypothetical protein 0.0017 0.0012 0.0018
Brugia malayi Carboxylesterase family protein 0.0052 0.0835 0.1229
Mycobacterium leprae conserved hypothetical protein 0.007 0.1247 0.5
Onchocerca volvulus 0.007 0.1247 1
Schistosoma mansoni acetylcholinesterase 0.0052 0.0835 0.1229
Brugia malayi MH2 domain containing protein 0.0124 0.2478 0.3645
Schistosoma mansoni neuroligin 3 (S09 family) 0.0052 0.0835 0.1229
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Toxoplasma gondii ABC1 family protein 0.007 0.1247 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0745 0.0967
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1247 0.1834
Echinococcus granulosus neuroligin 0.0052 0.0835 0.1084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0745 0.1095
Brugia malayi beta-lactamase 0.007 0.1247 0.1834
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.1247 0.1618
Loa Loa (eye worm) carboxylesterase 0.0052 0.0835 0.1229
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0246 0.0196
Plasmodium vivax hypothetical protein, conserved 0.007 0.1247 1
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.1247 0.0449
Onchocerca volvulus 0.007 0.1247 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.1247 0.0449
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.1247 0.1834
Onchocerca volvulus 0.0052 0.0835 0.2405
Plasmodium falciparum flap endonuclease 1 0.0027 0.0246 1
Brugia malayi Carboxylesterase family protein 0.0311 0.68 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.1247 0.0449
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Schistosoma mansoni survival motor neuron protein 0.0047 0.0705 0.1037
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.2478 0.3645
Mycobacterium tuberculosis Conserved protein 0.007 0.1247 0.0449
Mycobacterium ulcerans lipase LipD 0.007 0.1247 1
Echinococcus granulosus acetylcholinesterase 0.0311 0.68 0.8825
Loa Loa (eye worm) hypothetical protein 0.0311 0.68 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0815 0.1199
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.1247 0.0449
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0311 0.68 1
Schistosoma mansoni hypothetical protein 0.0035 0.0438 0.0644
Schistosoma mansoni gliotactin 0.0052 0.0835 0.1229
Loa Loa (eye worm) beta-lactamase 0.007 0.1247 0.1834
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.1247 1
Trichomonas vaginalis esterase, putative 0.007 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.007 0.1247 0.1834
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0745 0.1095
Brugia malayi beta-lactamase family protein 0.007 0.1247 0.1834
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0745 0.1095
Echinococcus granulosus survival motor neuron protein 1 0.023 0.4929 0.6397
Schistosoma mansoni flap endonuclease-1 0.0024 0.0186 0.0273
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.1247 0.1618
Echinococcus multilocularis neuroligin 0.0052 0.0835 0.1084
Echinococcus granulosus flap endonuclease 1 0.0027 0.0246 0.0319
Loa Loa (eye worm) hypothetical protein 0.0052 0.0835 0.1229
Leishmania major hypothetical protein, conserved 0.007 0.1247 1
Brugia malayi hypothetical protein 0.023 0.4929 0.7249
Loa Loa (eye worm) carboxylesterase 0.0052 0.0835 0.1229
Onchocerca volvulus 0.0052 0.0835 0.2405
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.1247 0.1834
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.1247 0.0449
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0745 0.1095
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0246 0.0196
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0835 0.1229
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0246 0.5
Onchocerca volvulus 0.0052 0.0835 0.2405
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.1247 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0052 0.0835 0.1229
Schistosoma mansoni BC026374 protein (S09 family) 0.0052 0.0835 0.1229
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0246 0.0361
Loa Loa (eye worm) carboxylesterase 0.0311 0.68 1

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.