Detailed information for compound 887201

Basic information

Technical information
  • TDR Targets ID: 887201
  • Name: methyl 2-[[8-[4-(phenoxy)butanoyl]3,8-diazasp iro[4.5]decane-3-carbothioyl]amino]acetate
  • MW: 433.564 | Formula: C22H31N3O4S
  • H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CNC(=S)N1CCC2(C1)CCN(CC2)C(=O)CCCOc1ccccc1
  • InChi: 1S/C22H31N3O4S/c1-28-20(27)16-23-21(30)25-14-11-22(17-25)9-12-24(13-10-22)19(26)8-5-15-29-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3,(H,23,30)
  • InChiKey: JRAHURUSFNMWCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[[8-[1-oxo-4-(phenoxy)butyl]-3,8-diazaspiro[4.5]decan-3-yl]-thioxomethyl]amino]acetic acid methyl ester
  • 2-[[8-[4-(phenoxy)butanoyl]3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]acetic acid methyl ester
  • methyl 2-[[8-[4-(phenoxy)butanoyl]-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]ethanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.016 0.0163 0.0163
Loa Loa (eye worm) endoprotease bli-4 0.3444 1 1
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.016 0.0163 0.016
Loa Loa (eye worm) integrin beta-2 0.0682 0.1728 0.1728
Trypanosoma cruzi subtilisin peptidase 0.016 0.0163 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.24 0.6872 0.8767
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1978 0.5607 1
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Echinococcus granulosus integrin beta 2 0.0502 0.1188 0.1155
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.016 0.0163 0.5
Echinococcus multilocularis 0.2721 0.7834 1
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.016 0.0163 0.5
Echinococcus granulosus furin 0.3444 1 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0933 0.2479 0.2368
Trichomonas vaginalis hypothetical protein 0.0723 0.185 0.31
Echinococcus granulosus tm gpcr rhodopsin 0.0576 0.1408 0.1375
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Loa Loa (eye worm) hypothetical protein 0.3444 1 1
Onchocerca volvulus 0.016 0.0163 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.016 0.0163 0.5
Brugia malayi Integrin alpha pat-2 precursor 0.0154 0.0146 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Plasmodium vivax subtilisin-like serine protease, putative 0.016 0.0163 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Brugia malayi neuroendocrine convertase 1 precursor 0.2718 0.7824 0.7824
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.016 0.0163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Loa Loa (eye worm) hypothetical protein 0.0117 0.0033 0.0033
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.016 0.0163 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1978 0.5607 1
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.016 0.0163 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0264 0.0473 0.0473
Echinococcus multilocularis integrin beta 2 0.0502 0.1188 0.1476
Schistosoma mansoni tyrosine kinase 0.0264 0.0473 0.0332
Schistosoma mansoni integrin beta subunit 0.0397 0.0872 0.0738
Echinococcus granulosus epidermal growth factor receptor 0.0264 0.0473 0.0437
Echinococcus multilocularis neuropeptide FF receptor 2 0.0981 0.2624 0.3317
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.016 0.0163 0.0017
Echinococcus granulosus neuropeptide FF receptor 2 0.0981 0.2624 0.2596
Loa Loa (eye worm) hypothetical protein 0.0121 0.0046 0.0046
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.016 0.0163 0.5
Echinococcus granulosus Furin 1 0.0933 0.2479 0.2451
Schistosoma mansoni furin-1 (S08 family) 0.1626 0.4556 0.4475
Plasmodium falciparum subtilisin-like protease 3 0.016 0.0163 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0117 0.0033 0.0033
Brugia malayi proprotein convertase 2 0.24 0.6872 0.6872
Schistosoma mansoni hypothetical protein 0.0723 0.185 0.173
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Loa Loa (eye worm) integrin alpha pat-2 0.0238 0.0396 0.0396
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.016 0.0163 0.5
Echinococcus multilocularis Furin 1 0.0933 0.2479 0.3132
Plasmodium vivax subtilisin-like protease 1 0.016 0.0163 0.5
Leishmania major subtilisin-like serine peptidase 0.016 0.0163 0.5
Schistosoma mansoni site-1 peptidase (S08 family) 0.016 0.0163 0.0017
Trypanosoma brucei subtilisin peptidase 0.016 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.1517 0.4227 0.4227
Brugia malayi celfurPC protein 0.2721 0.7834 0.7834
Echinococcus multilocularis membrane bound transcription factor site 1 0.016 0.0163 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Loa Loa (eye worm) hypothetical protein 0.016 0.0163 0.0163
Brugia malayi Integrin beta pat-3 precursor 0.0682 0.1728 0.1728
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.016 0.0163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Plasmodium vivax subtilisin-like protease 2, putative 0.016 0.0163 0.5
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1978 0.5607 0.559
Echinococcus multilocularis epidermal growth factor receptor 0.0264 0.0473 0.0558
Mycobacterium leprae Possible secreted protease 0.016 0.0163 0.5
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0774 0.2001 0.3376
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.3444 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0981 0.2624 0.2624
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.021 0.0313 0.0276
Loa Loa (eye worm) proprotein convertase 2 0.0933 0.2479 0.2479
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Brugia malayi Subtilase family protein 0.016 0.0163 0.0163
Giardia lamblia High cysteine membrane protein Group 2 0.1094 0.2962 1
Echinococcus granulosus neuroendocrine convertase 2 0.24 0.6872 0.6861
Schistosoma mansoni site-1 peptidase (S08 family) 0.016 0.0163 0.0017
Loa Loa (eye worm) hypothetical protein 0.0368 0.0786 0.0786
Plasmodium falciparum subtilisin-like protease 1 0.016 0.0163 0.5
Echinococcus granulosus membrane bound transcription factor site 1 0.016 0.0163 0.0125
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0576 0.1408 0.1758
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.016 0.0163 0.0163
Loa Loa (eye worm) TK/EGFR protein kinase 0.0264 0.0473 0.0473
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0723 0.185 0.31
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0774 0.2001 0.3376
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.016 0.0163 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1978 0.5607 0.7144
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.016 0.0163 0.0125
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.021 0.0313 0.017
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.016 0.0163 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.016 0.0163 0.5
Loa Loa (eye worm) subtilase 0.016 0.0163 0.0163
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.016 0.0163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Plasmodium falciparum subtilisin-like protease 2 0.016 0.0163 0.5
Toxoplasma gondii subtilisin SUB12 0.0176 0.021 1
Loa Loa (eye worm) hypothetical protein 0.0981 0.2624 0.2624
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255

Activities

No activities found for this compound.

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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