Detailed information for compound 766654

Basic information

Technical information
  • TDR Targets ID: 766654
  • Name: 2-methylpropyl 8-methyl-4-oxo-6-[3-(phenoxy)p henyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thi azine-7-carboxylate
  • MW: 450.55 | Formula: C25H26N2O4S
  • H donors: 0 H acceptors: 2 LogP: 4.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COC(=O)C1=C(C)N=C2N(C1c1cccc(c1)Oc1ccccc1)C(=O)CCS2)C
  • InChi: 1S/C25H26N2O4S/c1-16(2)15-30-24(29)22-17(3)26-25-27(21(28)12-13-32-25)23(22)18-8-7-11-20(14-18)31-19-9-5-4-6-10-19/h4-11,14,16,23H,12-13,15H2,1-3H3
  • InChiKey: LIKOWMCSUVHYKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • isobutyl 8-methyl-4-oxo-6-[3-(phenoxy)phenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
  • 8-methyl-4-oxo-6-[3-(phenoxy)phenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid isobutyl ester
  • 4-keto-8-methyl-6-[3-(phenoxy)phenyl]-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid isobutyl ester
  • UNM000000699401
  • AF-399/41899122

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
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Loa Loa (eye worm) hypothetical protein 0.0148 0.5975 1
Plasmodium falciparum glutathione reductase 0.0125 0.4777 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0043 0.0523 0.0898
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0043 0.0523 0.0424
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Brugia malayi MH2 domain containing protein 0.012 0.4505 0.7496
Toxoplasma gondii NADPH-glutathione reductase 0.0043 0.0523 0.0898
Loa Loa (eye worm) serotonin transporter b 0.0148 0.5975 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0103 0.0173
Brugia malayi Thioredoxin reductase 0.0125 0.4777 0.7959
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4505 0.7496
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0103 0.0173
Onchocerca volvulus 0.0148 0.5975 1
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0056 0.1204 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Trypanosoma cruzi trypanothione reductase, putative 0.0125 0.4777 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0043 0.0523 0.0898
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0043 0.0523 0.3812
Plasmodium vivax thioredoxin reductase, putative 0.0125 0.4777 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0043 0.0523 0.0424
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0043 0.0523 0.0424
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0056 0.1204 0.1249
Loa Loa (eye worm) hypothetical protein 0.0148 0.5975 1
Chlamydia trachomatis glutamine binding protein 0.0056 0.1204 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0043 0.0523 0.0898
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0078 0.2349 0.3932
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Plasmodium falciparum thioredoxin reductase 0.0125 0.4777 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0148 0.5975 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0148 0.5975 1
Echinococcus multilocularis nmda type glutamate receptor 0.0078 0.2349 0.3932
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0056 0.1204 0.1249
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0043 0.0523 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0043 0.0523 0.3812
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0043 0.0523 0.0875
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0043 0.0523 0.0898
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4505 0.7496
Echinococcus multilocularis serotonin transporter 0.0148 0.5975 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Trypanosoma cruzi trypanothione reductase, putative 0.0043 0.0523 0.0898
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0103 0.0173
Giardia lamblia NADH oxidase lateral transfer candidate 0.0043 0.0523 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0103 0.0173
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0043 0.0523 0.3812
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0043 0.0523 0.0898
Toxoplasma gondii thioredoxin reductase 0.0125 0.4777 1
Trichomonas vaginalis glutathione reductase, putative 0.0043 0.0523 1
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0056 0.1204 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Brugia malayi glutathione reductase 0.0125 0.4777 0.7959
Schistosoma mansoni sodium/chloride dependent transporter 0.0148 0.5975 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0043 0.0523 0.0714
Loa Loa (eye worm) norepinephrine transporter 0.0148 0.5975 1
Trichomonas vaginalis mercuric reductase, putative 0.0043 0.0523 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0043 0.0523 0.0898
Plasmodium vivax glutathione reductase, putative 0.0125 0.4777 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.5975 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0056 0.1204 0.1112
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0043 0.0523 0.0898
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0043 0.0523 0.0898
Loa Loa (eye worm) thioredoxin reductase 0.0125 0.4777 0.7959
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0043 0.0523 0.0898
Echinococcus granulosus nmda type glutamate receptor 0.0078 0.2349 0.3932
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0125 0.4777 0.4722
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0043 0.0523 0.0898
Loa Loa (eye worm) glutathione reductase 0.0125 0.4777 0.7959
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0043 0.0523 0.0424
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0043 0.0523 0.0875
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0043 0.0523 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0125 0.4777 0.7995
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0043 0.0523 0.0898
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0148 0.5975 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0043 0.0523 0.0898
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0043 0.0523 0.0875
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0043 0.0523 0.5
Echinococcus granulosus serotonin transporter 0.0148 0.5975 1
Leishmania major trypanothione reductase 0.0125 0.4777 1
Trypanosoma brucei trypanothione reductase 0.0125 0.4777 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0125 0.4777 0.7995
Treponema pallidum sodium- and chloride- dependent transporter 0.0148 0.5975 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.

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