Detailed information for compound 811701

Basic information

Technical information
  • TDR Targets ID: 811701
  • Name: STOCK1S-74199
  • MW: 223.315 | Formula: C12H21N3O
  • H donors: 1 H acceptors: 1 LogP: 0.78 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C12CN3CCN(C1)CC(/C/2=N\O)C3)C
  • InChi: 1S/C12H21N3O/c1-9(2)12-7-14-3-4-15(8-12)6-10(5-14)11(12)13-16/h9-10,16H,3-8H2,1-2H3/b13-11+
  • InChiKey: LMHINNNBCHWPEB-ACCUITESSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • CBMicro_021488
  • Oprea1_258107
  • MLS000559554
  • SMR000149670
  • BIM-0021538.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 ko:K07936 GTP-binding nuclear protein Ran, putative 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 berghei 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 donovani GTP-binding protein, 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 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
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Babesia bovis GTP-binding nuclear protein Ran 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative 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 GTP-binding nuclear protein rtb2, putative 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, 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
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 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
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum 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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi 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 brucei importin beta-1 subunit, putative 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 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 mexicana GTP-binding protein, 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
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 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
Leishmania donovani importin beta-1 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
Babesia bovis importin beta 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) carboxylesterase 0.0252 0.153 0.1491
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1494 1 1
Onchocerca volvulus 0.0252 0.153 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.153 0.1491
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0308 0.0264
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0308 0.0264
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Loa Loa (eye worm) carboxylesterase 0.1494 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0252 0.153 0.1491
Onchocerca volvulus 0.0252 0.153 1
Brugia malayi hypothetical protein 0.0286 0.1756 0.1719
Brugia malayi Carboxylesterase family protein 0.0252 0.153 0.1491
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0252 0.153 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0252 0.153 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.1756 0.1719
Echinococcus multilocularis BC026374 protein (S09 family) 0.0252 0.153 0.1491
Echinococcus granulosus carboxylesterase 5A 0.1494 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0308 0.0264
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Onchocerca volvulus 0.0252 0.153 1
Loa Loa (eye worm) hypothetical protein 0.1494 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.153 0.1491
Mycobacterium ulcerans carboxylesterase, LipT 0.0252 0.153 1
Echinococcus multilocularis acetylcholinesterase 0.1494 1 1
Echinococcus multilocularis carboxylesterase 5A 0.1494 1 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0045 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0252 0.153 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0252 0.153 0.1491
Echinococcus multilocularis neuroligin 0.0252 0.153 0.1491
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Schistosoma mansoni hypothetical protein 0.0058 0.0205 0.0161
Loa Loa (eye worm) carboxylesterase 0.0252 0.153 0.1491
Echinococcus granulosus snurportin 1 0.0372 0.2344 0.231
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0252 0.153 0.1491
Onchocerca volvulus 0.0252 0.153 1
Brugia malayi Carboxylesterase family protein 0.0252 0.153 0.1491
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0308 0.0264
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1716 0.1679
Schistosoma mansoni BC026374 protein (S09 family) 0.0252 0.153 0.1491
Echinococcus multilocularis para nitrobenzyl esterase 0.0252 0.153 0.1491
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0045 0.5
Schistosoma mansoni acetylcholinesterase 0.0252 0.153 0.1491
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0252 0.153 1
Loa Loa (eye worm) hypothetical protein 0.1494 1 1
Brugia malayi Carboxylesterase family protein 0.1494 1 1
Echinococcus granulosus neuroligin 0.0252 0.153 0.1491
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0308 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0205 0.0161
Schistosoma mansoni hypothetical protein 0.0372 0.2344 0.231
Brugia malayi Carboxylesterase family protein 0.0252 0.153 0.1491
Onchocerca volvulus 0.0252 0.153 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0045 0.5
Brugia malayi follicle stimulating hormone receptor 0.028 0.1716 0.1679
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1756 0.1719
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Echinococcus granulosus para nitrobenzyl esterase 0.0252 0.153 0.1491
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2344 0.231
Echinococcus granulosus BC026374 protein S09 family 0.0252 0.153 0.1491
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0308 1
Echinococcus granulosus acetylcholinesterase 0.1494 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0252 0.153 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0205 0.0161
Brugia malayi hypothetical protein 0.0252 0.153 0.1491
Brugia malayi RNA, U transporter 1 0.0099 0.0483 0.044
Loa Loa (eye worm) acetylcholinesterase 1 0.1494 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1756 0.1719
Echinococcus multilocularis acetylcholinesterase 0.1494 1 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Schistosoma mansoni gliotactin 0.0252 0.153 0.1491
Plasmodium falciparum importin beta, putative 0.0035 0.0045 0.5
Brugia malayi Carboxylesterase family protein 0.0252 0.153 0.1491
Loa Loa (eye worm) hypothetical protein 0.0252 0.153 0.1491
Echinococcus granulosus acetylcholinesterase 0.1494 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.153 0.1491
Echinococcus multilocularis snurportin 1 0.0372 0.2344 0.231

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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