Detailed information for compound 823506

Basic information

Technical information
  • TDR Targets ID: 823506
  • Name: N-(4-chlorophenyl)-4-(2,6-dimethyl-2,3-dihydr o-1,4-benzoxazin-4-yl)-4-oxobutanamide
  • MW: 372.845 | Formula: C20H21ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)CCC(=O)N1CC(C)Oc2c1cc(C)cc2
  • InChi: 1S/C20H21ClN2O3/c1-13-3-8-18-17(11-13)23(12-14(2)26-18)20(25)10-9-19(24)22-16-6-4-15(21)5-7-16/h3-8,11,14H,9-10,12H2,1-2H3,(H,22,24)
  • InChiKey: DZITTWKBBLKNIU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-chlorophenyl)-4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-butanamide
  • N-(4-chlorophenyl)-4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-keto-butyramide

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 phd finger protein, putative 0.0029 0.0053 0.3252
Loa Loa (eye worm) hypothetical protein 0.0842 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.032 0.3613 0.3611
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0127 0.0092
Loa Loa (eye worm) hypothetical protein 0.003 0.0069 0.0066
Echinococcus granulosus hypothetical protein 0.0687 0.8111 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.085 0.0996
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0614 0.1576
Echinococcus granulosus snurportin 1 0.032 0.3613 0.4418
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.085 0.0989
Plasmodium falciparum glutathione reductase 0.0037 0.0157 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0069 0.4293
Echinococcus multilocularis jumonji domain containing protein 0.004 0.019 0.0171
Echinococcus multilocularis conserved hypothetical protein 0.0683 0.8054 1
Leishmania major trypanothione reductase 0.0037 0.0157 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.019 0.017
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0296 0.0293
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.074 0.8342
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0842 1 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0053 0.3252
Toxoplasma gondii thioredoxin reductase 0.0037 0.0157 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0069 0.4293
Loa Loa (eye worm) hypothetical protein 0.0033 0.0109 0.0106
Entamoeba histolytica hypothetical protein 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0303 0.0301
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0157 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0053 0.3252
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0855 1
Brugia malayi Bromodomain containing protein 0.0029 0.0053 0.005
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0157 0.0154
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0855 1
Giardia lamblia PHD finger protein 15 0.0029 0.0053 0.5
Mycobacterium tuberculosis Probable reductase 0.0085 0.074 0.8342
Echinococcus multilocularis snurportin 1 0.032 0.3613 0.445
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0127 0.0091
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0855 1
Brugia malayi glutathione reductase 0.0037 0.0157 0.0154
Schistosoma mansoni hypothetical protein 0.032 0.3613 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.074 0.8342
Brugia malayi Thioredoxin reductase 0.0037 0.0157 0.0154
Onchocerca volvulus Alhambra homolog 0.0029 0.0053 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0127 0.0124
Leishmania major hypothetical protein, conserved 0.0025 0.0003 0.0189
Loa Loa (eye worm) hypothetical protein 0.0048 0.0296 0.0293
Brugia malayi Serotonin receptor 0.046 0.5328 0.5326
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0 0.5
Brugia malayi Importin beta-1 subunit 0.003 0.0069 0.0066
Schistosoma mansoni importin beta-1 0.003 0.0069 0.0045
Loa Loa (eye worm) glutathione reductase 0.0037 0.0157 0.0154
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0127 0.0207
Schistosoma mansoni hypothetical protein 0.0165 0.172 0.4681
Plasmodium vivax importin-beta 2, putative 0.003 0.0069 0.4293
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0069 0.4293
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.074 0.8342
Echinococcus granulosus geminin 0.0165 0.172 0.2068
Plasmodium falciparum thioredoxin reductase 0.0037 0.0157 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0855 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0157 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0069 0.002
Plasmodium falciparum importin beta, putative 0.003 0.0069 0.4293
Trichomonas vaginalis importin beta-1, putative 0.0024 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0127 0.0207
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0163 0.0138
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.074 0.8342
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.074 0.8342
Brugia malayi jmjC domain containing protein 0.0094 0.085 0.0847
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0053 0.3252
Trypanosoma brucei trypanothione reductase 0.0037 0.0157 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0109 0.0106
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0163 0.0137
Loa Loa (eye worm) hypothetical protein 0.0842 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0426 0.0423
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0003 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0053 0.005
Brugia malayi jmjC domain containing protein 0.0035 0.0127 0.0124
Plasmodium vivax glutathione reductase, putative 0.0037 0.0157 1
Brugia malayi PHD-finger family protein 0.0029 0.0053 0.005
Brugia malayi RNA, U transporter 1 0.0085 0.0745 0.0742
Schistosoma mansoni hypothetical protein 0.0165 0.172 0.4681
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0053 0.005
Echinococcus multilocularis importin subunit beta 1 0.003 0.0069 0.002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0296 0.0293
Schistosoma mansoni hypothetical protein 0.0033 0.0109 0.0156
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0296 0.0293
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0003 0.0189
Echinococcus multilocularis geminin 0.0165 0.172 0.2083

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.

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