Detailed information for compound 166632

Basic information

Technical information
  • TDR Targets ID: 166632
  • Name: N-cyclobutyl-1,1-dioxo-4H-benzo[e][1,2,4]thia diazin-3-amine
  • MW: 251.305 | Formula: C11H13N3O2S
  • H donors: 2 H acceptors: 2 LogP: 1.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)N=C(NC2CCC2)Nc2c1cccc2
  • InChi: 1S/C11H13N3O2S/c15-17(16)10-7-2-1-6-9(10)13-11(14-17)12-8-4-3-5-8/h1-2,6-8H,3-5H2,(H2,12,13,14)
  • InChiKey: HWUFEDVHNRSSFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • cyclobutyl-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family C (CFTR/MRP), member 8 Starlite/ChEMBL References
Homo sapiens potassium inwardly-rectifying channel, subfamily J, member 11 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis SI:dZ52I16.4 (novel ABC transporter similar to human multidrug-resistance proteins (MRP)) Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania donovani pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance associated protein 7 Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana p-glycoprotein e, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 5, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ko:K05667 ATP-binding cassette, subfamily C (CFTR/MRP), member 3, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum ko:K05674 ATP-binding cassette, subfamily C (CFTR/MRP), member 10, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Cryptosporidium parvum ATP-binding cassette protein Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 6, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica multidrug resistance protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei multidrug resistance protein E Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance associated protein 4 Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei gambiense multidrug resistance-associated protein, putative,p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia Multidrug resistance-associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma brucei gambiense multidrug resistance protein E,p-glycoprotein Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) multidrug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis p-glycoprotein e, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Canalicular multispecific organic anion transporter 2, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus granulosus multidrug resistance associated protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma congolense multidrug resistance protein A Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 4 Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 7, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi multidrug resistance related protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans similar to vacuolar membrane ATP-dependant transporter, metal resistance protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative Get druggable targets OG5_126561 All targets in OG5_126561
Giardia lamblia MRP-like ABC transporter Get druggable targets OG5_126561 All targets in OG5_126561
Brugia malayi ABC transporter transmembrane region family protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma congolense multidrug resistance-associated protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Cryptosporidium parvum ABC ATpase (2 ABC domains) with 10 transmembrane domains, adjacent duplicated gene Get druggable targets OG5_126561 All targets in OG5_126561
Entamoeba histolytica ATP-binding cassette protein, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana p-glycoprotein-like protein Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Schistosoma japonicum Multidrug resistance-associated protein 4, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania braziliensis multidrug resistance protein, putative,p-glycoprotein, putative,ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana ABC-thiol transporter Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter, ATP-binding protein domain containing protein Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Neospora caninum hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania mexicana multidrug resistance protein, copy 1-like protein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Echinococcus multilocularis multidrug resistance associated protein 7 Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania major pentamidine resistance protein 1 Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans vacuolar ABC transporter similar to multiple drug resistance-associated protein Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) ABC transporter transmembrane region family protein Get druggable targets OG5_126561 All targets in OG5_126561
Babesia bovis ABC transporter family protein Get druggable targets OG5_126561 All targets in OG5_126561
Trypanosoma cruzi multidrug resistance protein E, putative Get druggable targets OG5_126561 All targets in OG5_126561
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126561 All targets in OG5_126561
Leishmania infantum p-glycoprotein e Get druggable targets OG5_126561 All targets in OG5_126561
Theileria parva ABC transporter, putative Get druggable targets OG5_126561 All targets in OG5_126561
Candida albicans one of three genes similar to S. cerevisiae YCF1 (YDR135C) and BPT1 (YLL015W) Get druggable targets OG5_126561 All targets in OG5_126561
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
Leishmania major p-glycoprotein e 0.0017 0.0009 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0009 0.5
Leishmania major pentamidine resistance protein 1 0.0017 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0433
Echinococcus multilocularis thymidine phosphorylase 0.4394 1 1
Entamoeba histolytica ABC transporter, putative 0.0017 0.0009 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0009 0.5
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0009 0.5
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0017 0.0009 0.5
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0017 0.0009 0.0433
Loa Loa (eye worm) hypothetical protein 0.0102 0.0203 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.124 0.2801 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.4394 1 1
Entamoeba histolytica hypothetical protein 0.0017 0.0009 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0017 0.0009 0.5
Toxoplasma gondii hypothetical protein 0.0102 0.0203 1
Giardia lamblia MRP-like ABC transporter 0.0017 0.0009 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0017 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.0203 1
Brugia malayi multidrug resistance related protein 1 0.0017 0.0009 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0009 1
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0017 0.0009 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0009 0.5
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.4394 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0433
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0418
Trypanosoma cruzi multidrug resistance protein E, putative 0.0017 0.0009 0.5
Schistosoma mansoni multidrug resistance protein 0.0017 0.0009 0.5
Entamoeba histolytica multidrug resistance protein, putative 0.0017 0.0009 0.5
Leishmania major ABC-thiol transporter 0.0017 0.0009 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0017 0.0009 0.5
Giardia lamblia ABC transporter, putative 0.0017 0.0009 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0009 0.5
Trypanosoma brucei p-glycoprotein 0.0017 0.0009 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0017 0.0009 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0102 0.0203 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0017 0.0009 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0009 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0203 1
Trypanosoma brucei multidrug resistance protein E 0.0017 0.0009 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0017 0.0009 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = -5.7 Negative log EC50 for Beta-cell KATP channel ChEMBL. 12270187
EC50 (functional) = 1.96 uM Inhibition of Beta-cell KATP channel ChEMBL. 12270187
EC50 (functional) = 1.96 uM Inhibition of Beta-cell KATP channel ChEMBL. 12270187
ED50 (functional) 0 uM Concentration required for relaxation of the 30 mM KCl-induced contraction of rat aortic rings; Precipitate ChEMBL. 15887958
Log EC50 (functional) = 5.7 Negative log EC50 for Beta-cell KATP channel ChEMBL. 12270187
Max (functional) = 109 % Percentage of maximal agonistic response of Beta-cell KATP channel as compared to diazoxide (50 uM) ChEMBL. 12270187
Max (functional) = 109 % Percentage of maximal agonistic response of Beta-cell KATP channel as compared to diazoxide (50 uM) ChEMBL. 12270187
Residual insulin release (functional) 0 % Effect of the compound on insulin secretion from rat pancreatic islets at 50 uM concentration; N.D.=not determined ChEMBL. 15887958
Residual insulin release (functional) = 29.8 % Effect of the compound on insulin secretion from rat pancreatic islets at 10 uM concentration (n=14) ChEMBL. 15887958
Residual insulin release (functional) = 79.9 % Effect of the compound on insulin secretion from rat pancreatic islets at 1 uM concentration (n=16) ChEMBL. 15887958

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

2 literature references were collected for this gene.

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