Detailed information for compound 106752

Basic information

Technical information
  • TDR Targets ID: 106752
  • Name: 6,7-dichloro-3-methylspiro[1H-quinazoline-4,5 '-imidazolidine]-2,2',4'-trione
  • MW: 315.112 | Formula: C11H8Cl2N4O3
  • H donors: 3 H acceptors: 3 LogP: 0.79 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C2(N1)N(C)C(=O)Nc1c2cc(Cl)c(c1)Cl
  • InChi: 1S/C11H8Cl2N4O3/c1-17-10(20)14-7-3-6(13)5(12)2-4(7)11(17)8(18)15-9(19)16-11/h2-3H,1H3,(H,14,20)(H2,15,16,18,19)
  • InChiKey: DRJQSCFUISAEGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6,7-dichloro-3-methyl-spiro[1H-quinazoline-4,5'-imidazolidine]-2,2',4'-trione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldo-keto reductase family 1, member B1 (aldose reductase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldehyde reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldehyde reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense prostaglandin f synthase. putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae PROBABLE OXIDOREDUCTASE Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans similar to mammalian aldo/keto reductases Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma congolense prostaglandin f synthase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldehyde reductase, putative,oxidoreductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Neospora caninum Oxidoreductase, aldo/keto reductase family, related Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium tuberculosis Probable oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans see also nonallelic CaP19.2244 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium ulcerans oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei gambiense aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo-keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Toxoplasma gondii aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum IPR001395,Aldo/keto reductase,domain-containing Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma mansoni pol-related Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma cruzi aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Brugia malayi oxidoreductase, aldo/keto reductase family protein Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania infantum aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Candida albicans Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis dihydrodiol dehydrogenase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo/keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Trichomonas vaginalis aldo-keto reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus granulosus aldo keto reductase family 1 member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase Get druggable targets OG5_126583 All targets in OG5_126583
Entamoeba histolytica aldose reductase, putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania donovani prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) oxidoreductase Get druggable targets OG5_126583 All targets in OG5_126583
Schistosoma japonicum ko:K00011 aldehyde reductase [EC1.1.1.21], putative Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Echinococcus multilocularis aldo keto reductase family 1, member B4 Get druggable targets OG5_126583 All targets in OG5_126583
Trypanosoma brucei prostaglandin f synthase Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania mexicana prostaglandin f2-alpha synthase Get druggable targets OG5_126583 All targets in OG5_126583
Leishmania braziliensis aldo-keto reductase-like protein Get druggable targets OG5_126583 All targets in OG5_126583
Onchocerca volvulus Get druggable targets OG5_126583 All targets in OG5_126583
Mycobacterium leprae Conserved hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
Giardia lamblia Aldose reductase Get druggable targets OG5_126583 All targets in OG5_126583
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126583 All targets in OG5_126583
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Conserved protein aldo-keto reductase family 1, member B1 (aldose reductase) 316 aa 325 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0579 0.3402 1
Schistosoma mansoni RNA binding protein 0.0579 0.3402 0.3402
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0579 0.3402 0.3402
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0579 0.3402 1
Brugia malayi brahma associated protein 60 kDa 0.1628 1 1
Loa Loa (eye worm) brahma associated protein 0.1628 1 1
Leishmania major hypothetical protein, conserved 0.0579 0.3402 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0038 0 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.1628 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1628 1 1
Loa Loa (eye worm) hypothetical protein 0.0579 0.3402 0.3402
Loa Loa (eye worm) hypothetical protein 0.0579 0.3402 0.3402
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.1628 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0579 0.3402 1
Trypanosoma cruzi hypothetical protein, conserved 0.0579 0.3402 1
Leishmania major hypothetical protein, conserved 0.0579 0.3402 1
Onchocerca volvulus 0.0204 0.1041 0.1041
Loa Loa (eye worm) hypothetical protein 0.0204 0.1041 0.1041
Onchocerca volvulus 0.0579 0.3402 0.3402
Echinococcus granulosus tumor protein p63 0.1392 0.8515 0.8515
Brugia malayi YY1-associated factor 2 0.0579 0.3402 0.3402
Plasmodium vivax hypothetical protein, conserved 0.1628 1 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1628 1 1
Onchocerca volvulus 0.1628 1 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0579 0.3402 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.1628 1 1
Brugia malayi SWIB/MDM2 domain containing protein 0.1628 1 1
Chlamydia trachomatis SWIB complex protein 0.1628 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.1628 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0579 0.3402 0.3402
Leishmania major hypothetical protein, conserved 0.0579 0.3402 1
Schistosoma mansoni hypothetical protein 0.1628 1 1
Loa Loa (eye worm) hypothetical protein 0.0579 0.3402 0.3402
Trypanosoma cruzi WLM domain containing protein, putative 0.0579 0.3402 1
Trypanosoma brucei hypothetical protein, conserved 0.0579 0.3402 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0579 0.3402 0.3402
Echinococcus multilocularis tumor protein p63 0.1392 0.8515 0.8515
Loa Loa (eye worm) hypothetical protein 0.0579 0.3402 0.3402
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0579 0.3402 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.1628 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.1628 1 0.5
Onchocerca volvulus 0.0579 0.3402 0.3402
Leishmania major hypothetical protein, conserved 0.0579 0.3402 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0579 0.3402 1
Entamoeba histolytica aldose reductase, putative 0.0038 0 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0579 0.3402 0.3402
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0579 0.3402 0.3402
Giardia lamblia Aldose reductase 0.0038 0 0.5
Schistosoma mansoni brg-1 associated factor 0.1628 1 1
Echinococcus granulosus ring and YY1 binding protein 0.0579 0.3402 0.3402
Echinococcus multilocularis zinc finger protein Ran binding 0.0579 0.3402 0.3402
Onchocerca volvulus 0.0579 0.3402 0.3402
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0579 0.3402 0.3402
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0579 0.3402 1
Mycobacterium ulcerans oxidoreductase 0.0038 0 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0579 0.3402 0.3402
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0579 0.3402 0.3402
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0579 0.3402 0.3402
Echinococcus multilocularis ring and YY1 binding protein 0.0579 0.3402 0.3402
Onchocerca volvulus 0.0579 0.3402 0.3402
Trypanosoma brucei hypothetical protein, conserved 0.0579 0.3402 1
Entamoeba histolytica aldose reductase, putative 0.0038 0 0.5
Schistosoma mansoni fusion 0.0579 0.3402 0.3402
Trypanosoma cruzi WLM domain containing protein, putative 0.0579 0.3402 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0038 0 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0579 0.3402 0.3402
Trypanosoma cruzi hypothetical protein, conserved 0.0579 0.3402 1
Toxoplasma gondii ran binding protein 0.0579 0.3402 0.3402
Loa Loa (eye worm) hypothetical protein 0.0579 0.3402 0.3402
Schistosoma mansoni cellular tumor antigen P53 0.0204 0.1041 0.1041
Echinococcus granulosus Zinc finger RanBP2 type 0.0579 0.3402 0.3402
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.1628 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0579 0.3402 1
Echinococcus granulosus SWI:SNF matrix associated 0.1628 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1628 1 1
Entamoeba histolytica aldose reductase, putative 0.0038 0 0.5
Leishmania major hypothetical protein, conserved 0.0579 0.3402 1
Giardia lamblia Aldose reductase 0.0038 0 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0579 0.3402 0.3402
Echinococcus multilocularis SWI:SNF matrix associated 0.1628 1 1
Schistosoma mansoni hypothetical protein 0.1628 1 1
Schistosoma mansoni hypothetical protein 0.1628 1 1
Chlamydia trachomatis DNA topoisomerase I 0.1628 1 0.5
Schistosoma mansoni zinc finger protein 0.0579 0.3402 0.3402
Echinococcus multilocularis SWI:SNF matrix associated 0.1628 1 1
Schistosoma mansoni hypothetical protein 0.0579 0.3402 0.3402

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) = 7.5 uM g-1 In vivo inhibition of polyol accumulation in the sciatic nerve of galactosemic rats, activity is measured as polyol contents ChEMBL. 1597858
IC50 (binding) = 0.000000074 M Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens ChEMBL. 1597858
IC50 (binding) = 0.000000074 M Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens ChEMBL. 1597858
Inhibition (functional) = 52.9 % In vivo inhibition of polyol accumulation in the sciatic nerve of galactosemic rats, activity is expressed as percent inhibition of poloyl accumulation. ChEMBL. 1597858

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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