Detailed information for compound 1521460

Basic information

Technical information
  • TDR Targets ID: 1521460
  • Name: (4-methoxyphenyl)-(4-methyl-4,9-diazaspiro[5. 5]undecan-9-yl)methanone
  • MW: 302.411 | Formula: C18H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N1CCC2(CC1)CCCN(C2)C
  • InChi: 1S/C18H26N2O2/c1-19-11-3-8-18(14-19)9-12-20(13-10-18)17(21)15-4-6-16(22-2)7-5-15/h4-7H,3,8-14H2,1-2H3
  • InChiKey: DMTURMKMONHYLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • PCOP-953234
  • NCGC00012839

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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0482 0.0482
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0809 0.1488
Plasmodium falciparum acyl-CoA synthetase 0.033 0.3914 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0186 0.0129
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.033 0.3914 0.5547
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0986
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0138 0.0138
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0809 0.0922
Brugia malayi glutaminase DH11.1 0.0289 0.3413 0.4868
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Loa Loa (eye worm) transcription factor SMAD2 0.0272 0.3193 0.5808
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Schistosoma mansoni glutaminase 0.0289 0.3413 0.577
Onchocerca volvulus 0.0053 0.0511 0.0863
Echinococcus granulosus mothers against decapentaplegic 5 0.0019 0.0086 0.0158
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0174 0.0181
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0825 0.1394
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Loa Loa (eye worm) MH2 domain-containing protein 0.0272 0.3193 0.5808
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0174 0.0541
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0556 0.1108
Loa Loa (eye worm) hypothetical protein 0.0033 0.0267 0.0338
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0187 0.2149 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0174 0.0165
Loa Loa (eye worm) hypothetical protein 0.0045 0.0407 0.06
Brugia malayi MH2 domain containing protein 0.0019 0.0086 0.0034
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0809 0.1778
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0267 0.1923
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.1023
Mycobacterium ulcerans acetolactate synthase 0.033 0.3914 0.5547
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0267 0.0491
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0407 0.0407
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0247 0.289 0.4043
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0186 0.0646
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Leishmania major hypothetical protein, conserved 0.0026 0.0174 0.0096
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0084 0.089 0.1105
Schistosoma mansoni Smad4 0.0019 0.0086 0.0145
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0407 0.0823
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0509 0.0791
Echinococcus multilocularis smad 0.0019 0.0086 0.0086
Schistosoma mansoni hypothetical protein 0.0079 0.0825 0.1394
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0187 0.2149 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0174 0.0181
Brugia malayi hypothetical protein 0.0026 0.0174 0.0162
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0482 0.0505
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0186 0.0129
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0086 0.0145
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0577 0.6946 1
Schistosoma mansoni acetolactate synthase 0.0493 0.5915 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Brugia malayi MH2 domain containing protein 0.0019 0.0086 0.0034
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0138 0.011
Plasmodium vivax SET domain protein, putative 0.0033 0.0267 0.0342
Loa Loa (eye worm) glutaminase 2 0.0289 0.3413 0.6218
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0138 0.0097
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.033 0.3914 0.5547
Mycobacterium ulcerans hypothetical protein 0.0577 0.6946 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0174 0.0181
Echinococcus granulosus muscleblind protein 0.0454 0.5436 1
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0407 0.0749
Brugia malayi Pre-SET motif family protein 0.0033 0.0267 0.0297
Loa Loa (eye worm) hypothetical protein 0.0053 0.0511 0.0794
Echinococcus granulosus tumor protein p63 0.0363 0.4314 0.7936
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Echinococcus granulosus smad 0.0019 0.0086 0.0158
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0825 0.1517
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0577 0.6946 1
Treponema pallidum pyruvate oxidoreductase 0.0084 0.089 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0482 0.0505
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0407 0.0688
Brugia malayi MH2 domain containing protein 0.0272 0.3193 0.4549
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0809
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0331 0.3921 0.7168
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0577 0.6946 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0407 0.0749
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0407 0.0823
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.0556
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0577 0.6946 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0482 0.0886
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0252 0.0463
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.8931
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0103 0.1118 0.1379
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0138 0.0253
Loa Loa (eye worm) ILVBL protein 0.0349 0.415 0.7596
Echinococcus granulosus TGF beta signal transducer SmadC 0.0019 0.0086 0.0158
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0084 0.089 0.1105
Brugia malayi Pre-SET motif family protein 0.0232 0.2703 0.3837
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0482 0.0437
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0187 0.2149 1
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0407 0.0688
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0407 0.3584
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0556 0.0717
Brugia malayi Smad1 0.0019 0.0086 0.0034
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.033 0.3914 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0407 0.0823
Echinococcus multilocularis muscleblind protein 0.0454 0.5436 0.5436
Brugia malayi MH1 domain containing protein 0.0019 0.0086 0.0034
Toxoplasma gondii hypothetical protein 0.0027 0.0186 0.0723
Echinococcus granulosus Smad4 0.0019 0.0086 0.0158
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0556 0.094
Trichomonas vaginalis glutaminase, putative 0.0289 0.3413 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0809 0.1368
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0086 0.0086
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0267 0.0267
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0809 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2703 0.4892
Loa Loa (eye worm) hypothetical protein 0.0077 0.0809 0.1352
Brugia malayi Probable ClpP-like protease 0.0077 0.0809 0.1085
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0187 0.2149 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0986
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0187 0.2149 0.5327
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0267 0.0267
Trichomonas vaginalis set domain proteins, putative 0.0264 0.3097 0.9034
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0267 0.0451
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0407 0.0407
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0086 0.0086
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0407 0.3584
Schistosoma mansoni acetolactate synthase 0.0493 0.5915 1
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0511 0.0864
Echinococcus multilocularis tumor protein p63 0.0363 0.4314 0.4314
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0407 0.0714
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0084 0.089 1
Plasmodium vivax acyl-CoA synthetase, putative 0.033 0.3914 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0407 0.0749
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0103 0.1118 0.1441
Echinococcus multilocularis Smad4 0.0019 0.0086 0.0086
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0407 0.0407
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.1778
Onchocerca volvulus 0.0264 0.3097 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0825 0.0825
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Loa Loa (eye worm) glutaminase 0.0289 0.3413 0.6218
Mycobacterium ulcerans glutaminase 0.0289 0.3413 0.4811
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Schistosoma mansoni smad 0.0019 0.0086 0.0145
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0407 0.0501
Echinococcus multilocularis muscleblind protein 1 0.0454 0.5436 0.5436
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0577 0.6946 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0084 0.089 1
Brugia malayi MH1 domain containing protein 0.0019 0.0086 0.0034
Mycobacterium ulcerans hypothetical protein 0.0187 0.2149 0.2955
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Brugia malayi hypothetical protein 0.0079 0.0825 0.1108
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0809 1
Brugia malayi Muscleblind-like protein 0.0454 0.5436 0.7807

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-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-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-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-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-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active 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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