Detailed information for compound 794312

Basic information

Technical information
  • TDR Targets ID: 794312
  • Name: 6-chloro-3-(4-methylphenyl)-2,4-dihydro-1,3-b enzoxazine
  • MW: 259.731 | Formula: C15H14ClNO
  • H donors: 0 H acceptors: 0 LogP: 4.37 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N1COc2c(C1)cc(cc2)Cl
  • InChi: 1S/C15H14ClNO/c1-11-2-5-14(6-3-11)17-9-12-8-13(16)4-7-15(12)18-10-17/h2-8H,9-10H2,1H3
  • InChiKey: BISMLDRQEHMPSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00094957
  • A2912/0122752
  • TimTec1_006077

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
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0116 0.3864
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Mycobacterium ulcerans beta-lactamase 0.0039 0.0288 0.8257
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0288 0.0288
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0288 0.0288
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0116 0.3864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0409 0.0409
Brugia malayi Peptidase family M1 containing protein 0.004 0.0299 0.0422
Loa Loa (eye worm) hypothetical protein 0.004 0.0299 0.0213
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0232 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0409 0.0409
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.004 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.004 0.0299 1
Toxoplasma gondii aminopeptidase n, putative 0.004 0.0299 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0409 0.0409
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.004 0.0299 0.0299
Brugia malayi TATA binding protein associated factor 0.004 0.0299 0.0422
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Trypanosoma brucei Aminopeptidase M1, putative 0.004 0.0299 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0288 0.0189
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0288 0.8257
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0757 1 1
Leishmania major pyruvate kinase 0.0035 0.0232 0.6349
Trypanosoma cruzi aminopeptidase, putative 0.004 0.0299 1
Trypanosoma cruzi aminopeptidase, putative 0.004 0.0299 1
Mycobacterium ulcerans aminopeptidase N PepN 0.004 0.0299 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0288 0.8257
Trypanosoma brucei Aminopeptidase M1, putative 0.004 0.0299 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.004 0.0299 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0232 0.6349
Schistosoma mansoni pyruvate kinase 0.0035 0.0232 0.0232
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0232 0.0268
Loa Loa (eye worm) beta-lactamase 0.0039 0.0288 0.0202
Plasmodium falciparum pyruvate kinase 0.0035 0.0232 0.776
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Brugia malayi beta-lactamase 0.0039 0.0288 0.0395
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0232 0.0146
Loa Loa (eye worm) hypothetical protein 0.004 0.0299 0.0213
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.004 0.0299 0.0299
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0409 0.0409
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0251 0.3158 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0232 0.776
Loa Loa (eye worm) hypothetical protein 0.0035 0.0232 0.0146
Schistosoma mansoni pyruvate kinase 0.0035 0.0232 0.0232
Plasmodium falciparum M1-family alanyl aminopeptidase 0.004 0.0299 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.004 0.0299 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.004 0.0299 1
Brugia malayi beta-lactamase family protein 0.0039 0.0288 0.0395
Echinococcus granulosus pyruvate kinase 0.0035 0.0232 0.0232
Brugia malayi beta-lactamase family protein 0.0039 0.0288 0.0395
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0288 0.961
Echinococcus multilocularis aminopeptidase N 0.004 0.0299 0.0299
Onchocerca volvulus 0.0039 0.0288 0.8257
Brugia malayi hypothetical protein 0.004 0.0299 0.0422
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.004 0.0299 0.0299
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0288 0.0189
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0288 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0288 0.8257
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0757 1 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Chlamydia trachomatis pyruvate kinase 0.0035 0.0232 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0288 0.9364
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0288 0.9364
Loa Loa (eye worm) aminopeptidase N 0.004 0.0299 0.0213
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0288 0.0288
Giardia lamblia Pyruvate kinase 0.0035 0.0232 1
Onchocerca volvulus 0.004 0.0299 1
Onchocerca volvulus 0.004 0.0299 1
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0232 0.776
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0288 0.0288
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0288 0.8257
Schistosoma mansoni aminopeptidase A (M01 family) 0.004 0.0299 0.0299
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0288 0.0189
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0288 0.0202
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0232 0.6349
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.004 0.0299 1
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0232 0.6349
Loa Loa (eye worm) TATA binding protein associated factor 0.004 0.0299 0.0213
Leishmania major pyruvate kinase 0.0035 0.0232 0.6349
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.004 0.0299 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.0288 0.0189
Brugia malayi Peptidase family M1 containing protein 0.004 0.0299 0.0422
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0757 1 1
Echinococcus multilocularis pyruvate kinase 0.0028 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.004 0.0299 0.0213
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0288 0.9364
Trypanosoma brucei aminopeptidase, putative 0.004 0.0299 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0409 0.0409
Toxoplasma gondii aminopeptidase N protein 0.004 0.0299 1
Brugia malayi hypothetical protein 0.004 0.0299 0.0422
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.004 0.0299 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0409 0.0409
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.004 0.0299 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.0288 1
Onchocerca volvulus 0.0039 0.0288 0.8257
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0288 0.8257
Toxoplasma gondii aminopeptidase N, putative 0.004 0.0299 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.0232 0.0232
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0409 0.0409
Onchocerca volvulus 0.004 0.0299 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0116 0.3864
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.004 0.0299 1
Toxoplasma gondii ABC1 family protein 0.0039 0.0288 0.961
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.004 0.0299 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.004 0.0299 0.0299
Echinococcus granulosus pyruvate kinase 0.0035 0.0232 0.0232
Echinococcus granulosus aminopeptidase N 0.004 0.0299 0.0299
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0116 0.3864
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0288 0.8257
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0409 0.0324
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0288 0.0189
Loa Loa (eye worm) peptidase family M1 containing protein 0.004 0.0299 0.0213
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.004 0.0299 1
Brugia malayi hypothetical protein 0.0348 0.4465 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0409 0.0675
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.004 0.0299 1
Entamoeba histolytica aminopeptidase, putative 0.004 0.0299 1
Mycobacterium tuberculosis Conserved protein 0.0039 0.0288 0.0189
Brugia malayi Peptidase family M1 containing protein 0.004 0.0299 0.0422
Mycobacterium ulcerans lipase LipD 0.0039 0.0288 0.8257
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.004 0.0299 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0288 0.0189
Mycobacterium tuberculosis Conserved protein 0.0039 0.0288 0.0189
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0202
Loa Loa (eye worm) hypothetical protein 0.0027 0.0116 0.0028
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.004 0.0299 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.004 0.0299 1
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0288 0.0189
Mycobacterium ulcerans aminopeptidase N PepN 0.004 0.0299 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0232 0.0268
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0232 0.6349
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.004 0.0299 0.0299
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0288 0.8257
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0288 0.0395
Onchocerca volvulus 0.0039 0.0288 0.8257
Trypanosoma cruzi Aminopeptidase M1, putative 0.004 0.0299 1
Leishmania major hypothetical protein, conserved 0.0039 0.0288 0.9364
Trichomonas vaginalis esterase, putative 0.0039 0.0288 0.8257
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0288 0.0189
Mycobacterium ulcerans hypothetical protein 0.0039 0.0288 0.8257
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0232 0.0146
Echinococcus multilocularis pyruvate kinase 0.0035 0.0232 0.0232

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.25 ug ml-1 Antimicrobial activity against Escherichia coli after 24 hrs ChEMBL. 20116901
MIC (functional) = 25 ug ml-1 Antimicrobial activity against Candida albicans after 24 hrs ChEMBL. 20116901
MIC (functional) = 50 ug ml-1 Antimicrobial activity against Cryptococcus neoformans after 24 hrs ChEMBL. 20116901

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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