Detailed information for compound 1489999

Basic information

Technical information
  • TDR Targets ID: 1489999
  • Name: 8-(3,4-dimethoxyphenyl)sulfonyl-4-(4-methylph enyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
  • MW: 496.597 | Formula: C22H28N2O7S2
  • H donors: 0 H acceptors: 4 LogP: 2.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C22H28N2O7S2/c1-17-4-6-18(7-5-17)33(27,28)24-14-15-31-22(24)10-12-23(13-11-22)32(25,26)19-8-9-20(29-2)21(16-19)30-3/h4-9,16H,10-15H2,1-3H3
  • InChiKey: POXASAURWBKLRZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0022 0.0804
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.0015
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0053 0.0268 0.7854
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Loa Loa (eye worm) TWK-28 protein 0.0053 0.0268 0.0268
Onchocerca volvulus 0.0019 0.0022 0.0804
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Leishmania major hypothetical protein, conserved 0.0053 0.0268 0.7854
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0015 0.0558
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0015 0.0438
Giardia lamblia Hypothetical protein 0.0053 0.0268 1
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0022 0.0022
Mycobacterium ulcerans ion transport protein 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0022
Onchocerca volvulus 0.0053 0.0268 1
Echinococcus multilocularis calcium activated potassium channel variant 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0292 0.2027 0.2027
Echinococcus granulosus geminin 0.0205 0.1382 0.1382
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0053 0.0268 0.8784
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Schistosoma mansoni lipoxygenase 0.0019 0.0022 0.0022
Echinococcus granulosus potassium channel subfamily K 8 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0305 0.0305
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0015 0.5
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0053 0.0268 0.8784
Schistosoma mansoni hypothetical protein 0.0205 0.1382 0.1382
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0015 0.0015
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0053 0.0268 0.0268
Echinococcus multilocularis twik family of potassium channels 0.0053 0.0268 0.0268
Echinococcus multilocularis potassium channel subfamily K 0.0053 0.0268 0.0268
Echinococcus granulosus RUN 0.0019 0.0022 0.0022
Loa Loa (eye worm) TWK-7 protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Echinococcus multilocularis potassium channel subfamily K 8 0.0053 0.0268 0.0268
Schistosoma mansoni calcium-activated potassium channel 0.0053 0.0268 0.0268
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0053 0.0268 0.7854
Trypanosoma cruzi ion transport protein, putative 0.0053 0.0268 0.7854
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0053 0.0268 0.8784
Brugia malayi jmjC domain containing protein 0.0058 0.0305 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Leishmania major calcium/potassium channel (CAKC), putative 0.0053 0.0268 0.7854
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0053 0.0268 0.8784
Loa Loa (eye worm) hypothetical protein 0.0488 0.3466 0.3466
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0053 0.0268 0.8784
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0053 0.0268 0.8784
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0053 0.0268 0.0268
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0015 0.0438
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0022
Mycobacterium ulcerans transmembrane cation transporter 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0053 0.0268 1
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0268 0.7854
Leishmania major ion transport protein-like protein 0.0053 0.0268 0.7854
Echinococcus granulosus twik family of potassium channels 0.0053 0.0268 0.0268
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0278 0.0278
Schistosoma mansoni ap endonuclease 0.0019 0.0015 0.0015
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0015 0.0558
Leishmania major cathepsin L-like protease 0.0063 0.0341 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0053 0.0268 0.7854
Loa Loa (eye worm) uncoordinated protein 58 0.0053 0.0268 0.0268
Toxoplasma gondii exonuclease III APE 0.0019 0.0015 0.0558
Plasmodium falciparum potassium channel 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Leishmania major potassium channel subunit-like protein 0.0053 0.0268 0.7854
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0015 0.049
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0015 0.0438
Echinococcus granulosus microtubule associated protein 2 0.068 0.4874 0.4874
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0022 0.0022
Echinococcus granulosus twik family of potassium channels 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Echinococcus multilocularis geminin 0.0205 0.1382 0.1382
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0053 0.0268 0.8784
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0242 0.7098
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0268 0.7854
Onchocerca volvulus 0.0053 0.0268 1
Onchocerca volvulus 0.0019 0.0022 0.0804
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0053 0.0268 0.7755
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Plasmodium falciparum potassium channel 0.0053 0.0268 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0053 0.0268 0.8784
Brugia malayi Cytochrome P450 family protein 0.0045 0.0206 0.6773
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0305 0.0305
Onchocerca volvulus 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Onchocerca volvulus 0.0053 0.0268 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Schistosoma mansoni rab6-interacting 0.0019 0.0022 0.0022
Brugia malayi jmjC domain containing protein 0.0058 0.0305 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0053 0.0268 0.8784
Brugia malayi hypothetical protein 0.0019 0.0022 0.0707
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0053 0.0268 0.8784
Echinococcus multilocularis twik family of potassium channels 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0053 0.0268 0.8784
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0053 0.0268 1
Onchocerca volvulus 0.0053 0.0268 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0015 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0053 0.0268 0.8784
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0022 0.0022
Trypanosoma brucei calcium-activated potassium channel, putative 0.0053 0.0268 0.7755
Toxoplasma gondii ion channel protein 0.0053 0.0268 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0053 0.0268 0.8784
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.7072 0.7072
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0305 0.0305
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Leishmania major hypothetical protein, conserved 0.0053 0.0268 0.7854
Schistosoma mansoni polycystin 1-related 0.0019 0.0022 0.0022
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0305 0.0305
Leishmania major cathepsin L-like protease 0.0063 0.0341 1
Leishmania major cathepsin L-like protease 0.0063 0.0341 1
Echinococcus granulosus calcium activated potassium channel variant 0.0053 0.0268 0.0268
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Echinococcus multilocularis small conductance calcium activated potassium 0.1378 1 1
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0053 0.0268 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Schistosoma mansoni lipoxygenase 0.0054 0.0278 0.0278
Plasmodium vivax potassium channel, putative 0.0053 0.0268 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0278 0.0278
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0053 0.0268 0.7854
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0341 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0053 0.0268 1
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0053 0.0268 0.0268
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0341 1
Brugia malayi hypothetical protein 0.0053 0.0268 0.8784
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0022 0.0804
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.3876 0.3876
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0053 0.0268 0.0268
Brugia malayi hypothetical protein 0.0053 0.0268 0.8784
Onchocerca volvulus 0.0053 0.0268 1
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0341 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0053 0.0268 0.8784
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0053 0.0268 0.8784
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0015 0.0558
Schistosoma mansoni loxhd1 0.0019 0.0022 0.0022
Brugia malayi hypothetical protein 0.0019 0.0022 0.0707
Echinococcus multilocularis potassium channel subfamily K 8 0.0053 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0022
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0015 0.0558
Brugia malayi Doublecortin family protein 0.0019 0.0022 0.0707
Echinococcus granulosus potassium channel subfamily K 8 0.0053 0.0268 0.0268
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Echinococcus multilocularis RUN 0.0019 0.0022 0.0022
Schistosoma mansoni twik family of potassium channels-related 0.0053 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0205 0.1382 0.1382
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0053 0.0268 0.8784
Toxoplasma gondii ion channel protein 0.0053 0.0268 1
Schistosoma mansoni microtubule-associated protein tau 0.068 0.4874 0.4874
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0053 0.0268 0.0268
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0015 0.0558
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0053 0.0268 0.8784
Trypanosoma cruzi ion transport protein, putative 0.0053 0.0268 0.7854
Echinococcus multilocularis microtubule associated protein 2 0.068 0.4874 0.4874
Schistosoma mansoni hypothetical protein 0.1378 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0053 0.0268 1
Schistosoma mansoni rab6-interacting 0.0019 0.0022 0.0022
Plasmodium vivax potassium channel, putative 0.0053 0.0268 1
Loa Loa (eye worm) hypothetical protein 0.1378 1 1
Schistosoma mansoni calcium-activated potassium channel 0.1378 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Onchocerca volvulus 0.0053 0.0268 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0305 0.0305
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0305 0.0305
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0053 0.0268 0.0268
Schistosoma mansoni calcium-activated potassium channel 0.0053 0.0268 0.0268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0341 1
Echinococcus granulosus potassium channel subfamily K 0.0053 0.0268 0.0268
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0053 0.0268 0.0268
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0053 0.0268 0.0268
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0053 0.0268 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0305 0.0305
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0301 0.8824
Schistosoma mansoni calcium-activated potassium channel 0.1033 0.7463 0.7463
Onchocerca volvulus 0.0053 0.0268 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5918 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

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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