Detailed information for compound 1286979

Basic information

Technical information
  • TDR Targets ID: 1286979
  • Name: methyl 4-methyl-4,9-diazaspiro[5.5]undecane-9 -carboxylate
  • MW: 226.315 | Formula: C12H22N2O2
  • H donors: 0 H acceptors: 1 LogP: 1.26 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)N1CCC2(CC1)CCCN(C2)C
  • InChi: 1S/C12H22N2O2/c1-13-7-3-4-12(10-13)5-8-14(9-6-12)11(15)16-2/h3-10H2,1-2H3
  • InChiKey: VXTZQYTUWPIZEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methyl-4,9-diazaspiro[5.5]undecane-9-carboxylic acid methyl ester
  • NCGC00011819
  • PCOP-623423

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.89 0.9881
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.89 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.9007 0.8794
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.89 0.9881
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.89 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.2233 0.6065
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.89 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.1999 0.543
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.2233 0.5
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.89 0.9881
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3681 0.2329
Schistosoma mansoni hypothetical protein 0.0016 0.1763 0.1958
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.89 0.9881
Loa Loa (eye worm) hypothetical protein 0.0017 0.2233 0.057
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.89 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.9007 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3681 0.2329
Schistosoma mansoni hypothetical protein 0.0016 0.1763 0.1958
Loa Loa (eye worm) hypothetical protein 0.0023 0.3681 0.2329
Loa Loa (eye worm) hypothetical protein 0.0045 0.89 0.8664
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.89 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.89 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.9007 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.3681 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.89 1
Onchocerca volvulus 0.0023 0.3681 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3681 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.89 0.9881
Loa Loa (eye worm) hypothetical protein 0.0034 0.6188 0.5371
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3681 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2233 0.057
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.1999 0.543
Loa Loa (eye worm) hypothetical protein 0.0017 0.2233 0.057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.9007 0.8794
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.89 0.9881
Mycobacterium ulcerans hypothetical protein 0.0023 0.3681 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.89 0.8664
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.1763 0.1958
Echinococcus granulosus GPCR family 2 0.0016 0.1763 0.1958
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.89 0.9881
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.89 0.9881
Schistosoma mansoni hypothetical protein 0.0016 0.1763 0.1958
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.1763 0.1958
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.2233 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.3681 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.2233 0.6065
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3681 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.1763 0.1958
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9007 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.1763 0.1958
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.3681 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.1763 0.1958
Loa Loa (eye worm) hypothetical protein 0.0023 0.3681 0.2329
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.89 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.9007 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.3681 0.2329
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.3681 1
Schistosoma mansoni hypothetical protein 0.0034 0.6188 0.687
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9007 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2233 0.057
Schistosoma mansoni hypothetical protein 0.0016 0.1763 0.1958
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.2233 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9007 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.6188 0.5371
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.3681 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.2233 0.057
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.3681 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.3681 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.3681 0.2329
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.3681 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.1999 0.543
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.89 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.1999 0.543
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.9007 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.