Detailed information for compound 285144

Basic information

Technical information
  • TDR Targets ID: 285144
  • Name: 7-(3-amino-3-methylazetidin-1-yl)-9-cycloprop yl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline -3,4-dione
  • MW: 378.396 | Formula: C17H16F2N4O2S
  • H donors: 2 H acceptors: 2 LogP: 1.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc2c(=O)c3c(=O)[nH]sc3n(c2c(c1N1CC(C1)(C)N)F)C1CC1
  • InChi: 1S/C17H16F2N4O2S/c1-17(20)5-22(6-17)13-9(18)4-8-12(11(13)19)23(7-2-3-7)16-10(14(8)24)15(25)21-26-16/h4,7H,2-3,5-6,20H2,1H3,(H,21,25)
  • InChiKey: VONVCDFJKVENBE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(3-amino-3-methyl-azetidin-1-yl)-9-cyclopropyl-6,8-difluoro-isothiazolo[5,4-b]quinoline-3,4-dione
  • 7-(3-amino-3-methyl-1-azetidinyl)-9-cyclopropyl-6,8-difluoroisothiazolo[5,4-b]quinoline-3,4-dione
  • 7-(3-azanyl-3-methyl-azetidin-1-yl)-9-cyclopropyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
  • 7-(3-amino-3-methyl-azetidin-1-yl)-9-cyclopropyl-6,8-difluoro-isothiazolo[5,4-b]quinoline-3,4-quinone
  • 7-(3-amino-3-methyl-azetidin-1-yl)-9-cyclopropyl-6,8-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

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 histone deacetylase 1 0.037 0.4467 0.8195
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0072 0.0551 0.2331
Trypanosoma cruzi histone deacetylase, putative 0.0133 0.135 0.2551
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0208 0.0466
Loa Loa (eye worm) hypothetical protein 0.037 0.4467 0.6857
Echinococcus multilocularis inhibitor of apoptosis protein 0.0092 0.0809 0.1812
Schistosoma mansoni histone deacetylase 1 2 3 0.0133 0.135 0.135
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Toxoplasma gondii histone deacetylase HDAC1 0.0221 0.2508 0.4028
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0072 0.0551 0.0845
Loa Loa (eye worm) hypothetical protein 0.0088 0.0766 0.1176
Trypanosoma brucei histone deacetylase, putative 0.0221 0.2508 0.5318
Loa Loa (eye worm) hypothetical protein 0.0059 0.0382 0.0586
Toxoplasma gondii histone deacetylase HDAC4 0.0133 0.135 0.1566
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0092 0.0809 0.1242
Leishmania major histone deacetylase, putative 0.0221 0.2508 0.5318
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0129 0.1303 0.244
Schistosoma mansoni inhibitor of apoptosis protein 0.0092 0.0809 0.0809
Plasmodium falciparum histone deacetylase 2 0.0221 0.2508 0.4028
Giardia lamblia Histone deacetylase 0.037 0.4467 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0077 0.0614 0.0942
Mycobacterium ulcerans hydrolase 0.0072 0.0551 0.2331
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.1712 0.1712
Brugia malayi Hemopexin family protein 0.0084 0.0705 0.1083
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.016 0.1712 0.2628
Plasmodium vivax histone deacetylase 2, putative 0.0221 0.2508 0.4028
Trypanosoma cruzi histone deacetylase, putative 0.0133 0.135 0.2551
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0092 0.0809 0.1812
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0208 0.032
Trypanosoma brucei histone deacetylase 4 0.0221 0.2508 0.5318
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Plasmodium vivax histone deacetylase, putative 0.0221 0.2508 0.4028
Echinococcus multilocularis histone deacetylase 7 0.0221 0.2508 0.5614
Trypanosoma brucei histone deacetylase 2 0.0133 0.135 0.2551
Echinococcus granulosus inhibitor of apoptosis protein 0.0092 0.0809 0.1812
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0214 0.2421 0.5421
Brugia malayi Eukaryotic aspartyl protease family protein 0.0077 0.0614 0.0942
Trypanosoma brucei histone deacetylase 1 0.037 0.4467 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0766 0.1176
Trypanosoma cruzi histone deacetylase, putative 0.0221 0.2508 0.5318
Loa Loa (eye worm) hypothetical protein 0.0059 0.0382 0.0586
Plasmodium falciparum plasmepsin IX 0.0435 0.5315 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1433 1
Brugia malayi Matrixin family protein 0.0143 0.1479 0.227
Echinococcus multilocularis histone deacetylase 1 0.037 0.4467 1
Toxoplasma gondii aspartyl protease ASP1 0.016 0.1712 0.2336
Entamoeba histolytica histone deacetylase, putative 0.037 0.4467 1
Onchocerca volvulus 0.0077 0.0614 0.4547
Brugia malayi Matrixin family protein 0.0059 0.0382 0.0586
Schistosoma mansoni histone deacetylase 0.037 0.4467 0.4467
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.1303 0.1303
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0208 0.0466
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0197 0.2194 0.4911
Loa Loa (eye worm) hypothetical protein 0.0133 0.135 0.2072
Echinococcus granulosus histone deacetylase 6 0.0221 0.2508 0.5614
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Schistosoma mansoni hypothetical protein 0.0084 0.0705 0.0705
Plasmodium falciparum plasmepsin VI 0.016 0.1712 0.2336
Echinococcus granulosus histone deacetylase 7 0.0221 0.2508 0.5614
Schistosoma mansoni hypothetical protein 0.0092 0.0809 0.0809
Echinococcus granulosus histone deacetylase 3 0.037 0.4467 1
Toxoplasma gondii histone deacetylase HDAC5 0.0133 0.135 0.1566
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.1303 0.2
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Loa Loa (eye worm) hypothetical protein 0.0129 0.1303 0.2
Echinococcus multilocularis histone deacetylase 8 0.0133 0.135 0.3022
Schistosoma mansoni histone deacetylase 0.037 0.4467 0.4467
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0116 0.1125 0.7325
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.004 0.0133 0.0133
Loa Loa (eye worm) matrix metalloproteinase 0.0059 0.0382 0.0586
Onchocerca volvulus Histone deacetylase 10 homolog 0.0133 0.135 1
Echinococcus multilocularis histone deacetylase 6 0.0221 0.2508 0.5614
Onchocerca volvulus 0.0084 0.0705 0.5225
Onchocerca volvulus 0.0059 0.0382 0.2829
Brugia malayi Matrixin family protein 0.0059 0.0382 0.0586
Leishmania major histone deacetylase, putative 0.0221 0.2508 0.5318
Brugia malayi Matrixin family protein 0.0059 0.0382 0.0586
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0208 0.0208
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0092 0.0809 0.0809
Brugia malayi histone deacetylase 11 0.0133 0.135 0.2072
Loa Loa (eye worm) histone deacetylase 7A 0.0221 0.2508 0.385
Loa Loa (eye worm) histone deacetylase 3 0.037 0.4467 0.6857
Plasmodium vivax plasmepsin IV, putative 0.016 0.1712 0.2336
Plasmodium falciparum plasmepsin I 0.016 0.1712 0.2336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0208 0.0208
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0214 0.2421 0.5421
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0059 0.0382 0.0382
Loa Loa (eye worm) matrixin family protein 0.0143 0.1479 0.227
Trypanosoma brucei prolyl endopeptidase 0.0129 0.1303 0.244
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.037 0.4467 1
Trypanosoma cruzi histone deacetylase 1, putative 0.037 0.4467 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.016 0.1712 0.3832
Schistosoma mansoni histone deacetylase hda2 0.0133 0.135 0.135
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Loa Loa (eye worm) histone deacetylase 1 0.037 0.4467 0.6857
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1433 1
Plasmodium vivax aspartyl protease, putative 0.0435 0.5315 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0809 0.1242
Onchocerca volvulus Matrix metalloproteinase homolog 0.0131 0.1324 0.981
Loa Loa (eye worm) matrixin family protein 0.0131 0.1324 0.2033
Onchocerca volvulus 0.0077 0.0614 0.4547
Loa Loa (eye worm) subtilase 0.0526 0.6514 1
Echinococcus granulosus histone deacetylase 6 0.0221 0.2508 0.5614
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0526 0.6514 0.6514
Plasmodium vivax aspartyl protease, putative 0.0435 0.5315 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Leishmania major histone deacetylase, putative 0.037 0.4467 1
Plasmodium falciparum plasmepsin IV 0.016 0.1712 0.2336
Plasmodium vivax histone deacetylase 1, putative 0.037 0.4467 0.8195
Brugia malayi Subtilase family protein 0.0526 0.6514 1
Plasmodium falciparum plasmepsin II 0.016 0.1712 0.2336
Loa Loa (eye worm) aspartyl protease 6 0.0077 0.0614 0.0942
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.037 0.4467 1
Schistosoma mansoni histone deacetylase 4 5 0.0221 0.2508 0.2508
Brugia malayi aspartic protease BmAsp-1, identical 0.0077 0.0614 0.0942
Loa Loa (eye worm) histone deacetylase 0.0221 0.2508 0.385
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1433 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0208 0.0466
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.016 0.1712 0.3832
Plasmodium falciparum plasmepsin X 0.0435 0.5315 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Leishmania major histone deacetylase, putative 0.037 0.4467 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Toxoplasma gondii histone deacetylase HDAC2 0.037 0.4467 0.8195
Brugia malayi histone deacetylase 3 (HD3) 0.037 0.4467 0.6857
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Onchocerca volvulus Deterin homolog 0.0092 0.0809 0.5995
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0092 0.0809 0.1812
Echinococcus multilocularis histone deacetylase 6 0.0221 0.2508 0.5614
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Toxoplasma gondii histone deacetylase HDAC3 0.037 0.4467 0.8195
Loa Loa (eye worm) aspartic protease BmAsp-2 0.016 0.1712 0.2628
Brugia malayi hypothetical protein 0.0077 0.0614 0.0942
Loa Loa (eye worm) hypothetical protein 0.0059 0.0382 0.0586
Echinococcus multilocularis prolyl endopeptidase 0.0129 0.1303 0.2917
Onchocerca volvulus Matrilysin homolog 0.0131 0.1324 0.981
Mycobacterium leprae PROBABLE HYDROLASE 0.0072 0.0551 0.2331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0208 0.0208
Plasmodium vivax aspartyl proteinase, putative 0.016 0.1712 0.2336
Echinococcus granulosus histone deacetylase 1 0.037 0.4467 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0208 0.0466
Loa Loa (eye worm) hypothetical protein 0.0077 0.0614 0.0942
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0077 0.0614 0.0942
Echinococcus multilocularis histone deacetylase 0.0221 0.2508 0.5614
Echinococcus granulosus histone deacetylase 6 0.0221 0.2508 0.5614
Echinococcus granulosus histone deacetylase 0.0221 0.2508 0.5614
Trypanosoma cruzi histone deacetylase, putative 0.0221 0.2508 0.5318
Trypanosoma brucei histone deacetylase 3 0.0221 0.2508 0.5318
Toxoplasma gondii prolyl endopeptidase 0.0129 0.1303 0.1466
Brugia malayi Matrixin family protein 0.0059 0.0382 0.0586
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0092 0.0809 0.1242
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0077 0.0614 0.0614
Toxoplasma gondii aspartyl protease ASP3 0.0435 0.5315 1
Echinococcus granulosus prolyl endopeptidase 0.0129 0.1303 0.2917
Onchocerca volvulus 0.0092 0.0809 0.5995
Loa Loa (eye worm) hypothetical protein 0.0092 0.0809 0.1242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Brugia malayi Histone deacetylase 1 0.037 0.4467 0.6857
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Brugia malayi Histone deacetylase family protein 0.0221 0.2508 0.385
Trypanosoma cruzi histone deacetylase 1, putative 0.037 0.4467 1
Schistosoma mansoni cathepsin D (A01 family) 0.0792 1 1
Brugia malayi Pepsin A precursor 0.0077 0.0614 0.0942
Schistosoma mansoni histone deacetylase 4 5 0.0221 0.2508 0.2508
Brugia malayi histone deacetylase 1 (HD1) 0.037 0.4467 0.6857
Schistosoma mansoni memapsin-2 (A01 family) 0.0077 0.0614 0.0614
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Loa Loa (eye worm) hypothetical protein 0.0077 0.0614 0.0942
Brugia malayi Histone deacetylase family protein 0.0221 0.2508 0.385
Echinococcus multilocularis histone deacetylase 3 0.037 0.4467 1
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.3344 0.5
Echinococcus multilocularis histone deacetylase 6 0.0221 0.2508 0.5614
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0208 0.032
Onchocerca volvulus Matrilysin homolog 0.0059 0.0382 0.2829
Plasmodium falciparum histone deacetylase, putative 0.0221 0.2508 0.4028
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.016 0.1712 0.2336
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3344 0.5925
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0197 0.2194 0.4911
Loa Loa (eye worm) hypothetical protein 0.0072 0.0551 0.0845
Loa Loa (eye worm) histone deacetylase 11 0.0133 0.135 0.2072
Trichomonas vaginalis histone deacetylase, putative 0.037 0.4467 1
Echinococcus granulosus histone deacetylase 8 0.0133 0.135 0.3022
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.037 0.4467 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.1303 0.1303
Plasmodium vivax histone deacetylase, putative 0.0133 0.135 0.1566
Trypanosoma cruzi prolyl endopeptidase 0.0129 0.1303 0.244
Brugia malayi hypothetical protein 0.0077 0.0614 0.0942
Onchocerca volvulus Prolyl endopeptidase homolog 0.0129 0.1303 0.9653
Schistosoma mansoni histone deacetylase hda2 0.0221 0.2508 0.2508
Trypanosoma cruzi histone deacetylase, putative 0.0221 0.2508 0.5318

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.03 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Bacillus subtilis ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Staphylococcus epidermidis ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Morganella morganii ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC)preventing growth of Klebsiella pneumoniae ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC)preventing growth of Escherichia coli ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC)preventing growth of Enterobacter cloacae ChEMBL. 8464033
MIC (functional) = 0.06 ug ml-1 Minimum inhibitory concentration (MIC)preventing growth of Escherichia coli ChEMBL. 8464033
MIC (functional) = 0.12 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Bacillus cereus ChEMBL. 8464033
MIC (functional) = 0.12 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Streptococcus aureus ChEMBL. 8464033
MIC (functional) = 0.12 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Proteus vulgaris ChEMBL. 8464033
MIC (functional) = 0.5 ug ml-1 Minimum inhibitory concentration (MIC) preventing growth of Streptococcus faecalis ATCC 10541 ChEMBL. 8464033
MIC (functional) = 0.5 ug ml-1 Minimum inhibitory concentration (MIC)preventing growth of Pseudomonas aeruginosa ChEMBL. 8464033

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

1 literature reference was collected for this gene.

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