Detailed information for compound 879698

Basic information

Technical information
  • TDR Targets ID: 879698
  • Name: methyl 3-methyl-2-[[8-[4-(phenoxy)butanoyl]3, 8-diazaspiro[4.5]decane-3-carbothioyl]amino]b utanoate
  • MW: 475.644 | Formula: C25H37N3O4S
  • H donors: 1 H acceptors: 2 LogP: 3.63 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(C(C)C)NC(=S)N1CCC2(C1)CCN(CC2)C(=O)CCCOc1ccccc1
  • InChi: 1S/C25H37N3O4S/c1-19(2)22(23(30)31-3)26-24(33)28-16-13-25(18-28)11-14-27(15-12-25)21(29)10-7-17-32-20-8-5-4-6-9-20/h4-6,8-9,19,22H,7,10-18H2,1-3H3,(H,26,33)
  • InChiKey: RYXCMHGFJAYOPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

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

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
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Toxoplasma gondii subtilisin SUB12 0.0176 0.021 1
Loa Loa (eye worm) hypothetical protein 0.0981 0.2624 0.2624
Plasmodium falciparum subtilisin-like protease 2 0.016 0.0163 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.016 0.0163 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.016 0.0163 0.5
Loa Loa (eye worm) subtilase 0.016 0.0163 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1978 0.5607 0.7144
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
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0723 0.185 0.31
Loa Loa (eye worm) TK/EGFR protein kinase 0.0264 0.0473 0.0473
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.016 0.0163 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.021 0.0313 0.017
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.016 0.0163 0.0125
Brugia malayi Subtilase family protein 0.016 0.0163 0.0163
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Loa Loa (eye worm) proprotein convertase 2 0.0933 0.2479 0.2479
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
Echinococcus granulosus membrane bound transcription factor site 1 0.016 0.0163 0.0125
Plasmodium falciparum subtilisin-like protease 1 0.016 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.0368 0.0786 0.0786
Echinococcus granulosus neuroendocrine convertase 2 0.24 0.6872 0.6861
Schistosoma mansoni site-1 peptidase (S08 family) 0.016 0.0163 0.0017
Giardia lamblia High cysteine membrane protein Group 2 0.1094 0.2962 1
Echinococcus multilocularis epidermal growth factor receptor 0.0264 0.0473 0.0558
Mycobacterium leprae Possible secreted protease 0.016 0.0163 0.5
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1978 0.5607 0.559
Plasmodium vivax subtilisin-like protease 2, putative 0.016 0.0163 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.021 0.0313 0.0276
Brugia malayi Tachykinin-like peptides receptor 99D 0.0981 0.2624 0.2624
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.3444 1 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0774 0.2001 0.3376
Loa Loa (eye worm) hypothetical protein 0.016 0.0163 0.0163
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
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
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
Brugia malayi Integrin beta pat-3 precursor 0.0682 0.1728 0.1728
Schistosoma mansoni site-1 peptidase (S08 family) 0.016 0.0163 0.0017
Brugia malayi celfurPC protein 0.2721 0.7834 0.7834
Loa Loa (eye worm) hypothetical protein 0.1517 0.4227 0.4227
Trypanosoma brucei subtilisin peptidase 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
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
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.016 0.0163 0.5
Loa Loa (eye worm) integrin alpha pat-2 0.0238 0.0396 0.0396
Brugia malayi proprotein convertase 2 0.24 0.6872 0.6872
Schistosoma mansoni hypothetical protein 0.0723 0.185 0.173
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
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 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
Loa Loa (eye worm) hypothetical protein 0.0121 0.0046 0.0046
Schistosoma mansoni furin-1 (S08 family) 0.1626 0.4556 0.4475
Echinococcus granulosus Furin 1 0.0933 0.2479 0.2451
Schistosoma mansoni integrin beta subunit 0.0397 0.0872 0.0738
Echinococcus granulosus epidermal growth factor receptor 0.0264 0.0473 0.0437
Schistosoma mansoni tyrosine kinase 0.0264 0.0473 0.0332
Echinococcus granulosus neuropeptide FF receptor 2 0.0981 0.2624 0.2596
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.016 0.0163 0.0017
Echinococcus multilocularis neuropeptide FF receptor 2 0.0981 0.2624 0.3317
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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1978 0.5607 1
Echinococcus multilocularis integrin beta 2 0.0502 0.1188 0.1476
Plasmodium vivax subtilisin-like serine protease, putative 0.016 0.0163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.016 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.0117 0.0033 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
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 Clan SB, family S8, subtilisin-like serine peptidase 0.0933 0.2479 0.4255
Echinococcus granulosus tm gpcr rhodopsin 0.0576 0.1408 0.1375
Trichomonas vaginalis hypothetical protein 0.0723 0.185 0.31
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0933 0.2479 0.2368
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
Echinococcus multilocularis 0.2721 0.7834 1
Brugia malayi Integrin alpha pat-2 precursor 0.0154 0.0146 0.0146
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.016 0.0163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.185 0.31
Onchocerca volvulus 0.016 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.3444 1 1
Trypanosoma cruzi subtilisin peptidase 0.016 0.0163 0.5
Loa Loa (eye worm) integrin beta-2 0.0682 0.1728 0.1728
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.016 0.0163 0.016
Loa Loa (eye worm) endoprotease bli-4 0.3444 1 1
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.016 0.0163 0.0163
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.016 0.0163 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.24 0.6872 0.8767
Echinococcus granulosus integrin beta 2 0.0502 0.1188 0.1155
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

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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