Detailed information for compound 1378571

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.533 | Formula: C22H28N2O5S
  • H donors: 0 H acceptors: 3 LogP: 1.92 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)Cc1ccc(c(c1)S(=O)(=O)N1CCOCC1)OC)Cc1ccccc1
  • InChi: 1S/C22H28N2O5S/c1-3-23(17-18-7-5-4-6-8-18)22(25)16-19-9-10-20(28-2)21(15-19)30(26,27)24-11-13-29-14-12-24/h4-10,15H,3,11-14,16-17H2,1-2H3
  • InChiKey: VQVJQIMNCAQMPY-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 RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514

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
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0436 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0224 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Brugia malayi RNA, U transporter 1 0.0099 0.1788 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0224 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0064 0.0064
Leishmania major importin beta-1 subunit, putative 0.0028 0.0064 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Plasmodium falciparum importin beta, putative 0.0035 0.0224 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0224 1
Giardia lamblia NADPH oxidoreductase, putative 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Giardia lamblia NADPH oxidoreductase, putative 0.0436 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0436 1 1
Schistosoma mansoni importin beta-1 0.0035 0.0224 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Echinococcus granulosus importin subunit beta 1 0.0035 0.0224 0.0266
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0224 1
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.8431 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Schistosoma mansoni hypothetical protein 0.0372 0.8431 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0064 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Brugia malayi Importin beta-1 subunit 0.0035 0.0224 0.1253
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Echinococcus granulosus snurportin 1 0.0372 0.8431 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0224 0.0266
Trichomonas vaginalis FMN-dependent NADH-azoreductase, putative 0.0109 0.203 0.203
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Entamoeba histolytica modulator of drug activity B homolog, putative 0.0109 0.203 1
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Entamoeba histolytica hypothetical protein 0.0109 0.203 1
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Loa Loa (eye worm) hypothetical protein 0.0035 0.0224 0.0266
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Echinococcus multilocularis snurportin 1 0.0372 0.8431 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0064 0.0064
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0064 0.0064
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0109 0.203 0.203
Entamoeba histolytica hypothetical protein 0.0028 0.0064 0.0313
Trichomonas vaginalis conserved hypothetical protein 0.0327 0.7346 0.7346
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Trichomonas vaginalis modulator of drug activity B, putative 0.0109 0.203 0.203
Trichomonas vaginalis conserved hypothetical protein 0.0436 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.203 0.203
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.0109 0.203 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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