Detailed information for compound 1371013

Basic information

Technical information
  • TDR Targets ID: 1371013
  • Name: [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pipe ridin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmet hanone
  • MW: 376.559 | Formula: C20H32N4OS
  • H donors: 0 H acceptors: 2 LogP: 2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)C1CCN(CC1)C1CCN(CC1)Cc1cnc(s1)C
  • InChi: 1S/C20H32N4OS/c1-16-21-14-19(26-16)15-22-10-6-18(7-11-22)23-12-4-17(5-13-23)20(25)24-8-2-3-9-24/h14,17-18H,2-13,15H2,1H3
  • InChiKey: FUDVPPWZWWJGII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-[1-[(2-methylthiazol-5-yl)methyl]-4-piperidyl]-4-piperidyl]-pyrrolidin-1-yl-methanone
  • [1-[1-[(2-methyl-5-thiazolyl)methyl]-4-piperidinyl]-4-piperidinyl]-1-pyrrolidinylmethanone
  • [1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

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
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Schistosoma mansoni ankyrin 23/unc44 0.0028 0.0361 0.1073
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0129 0.0142
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0162
Echinococcus multilocularis ATP binding cassette sub family G 0.002 0.0102 0.0059
Brugia malayi SWIRM domain containing protein 0.0022 0.0169 0.0212
Brugia malayi hypothetical protein 0.002 0.0082 0.0104
Brugia malayi Death domain containing protein 0.0028 0.0361 0.0453
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0028 0.0361 0.0849
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0255 0.7958 1
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0169 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0129 0.0142
Echinococcus multilocularis 0.0022 0.0169 0.0264
Echinococcus multilocularis ATP binding cassette sub family G 0.002 0.0102 0.0059
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0129 0.0142
Schistosoma mansoni multidrug resistance protein 0.0021 0.0129 0.0384
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0129 0.0142
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0255 0.7958 1
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0102 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0028 0.0361 0.0453
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0255 0.7958 1
Leishmania major UDP-galactopyranose mutase 0.0022 0.0169 1
Echinococcus multilocularis Ankyrin 0.0028 0.0361 0.0849
Leishmania major p-glycoprotein 0.0021 0.0129 0.4058
Schistosoma mansoni multidrug resistance protein 0.0021 0.0129 0.0384
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0022 0.0169 0.0502
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0255 0.7958 1
Echinococcus granulosus netrin receptor unc 5 0.0028 0.0361 0.0849
Echinococcus multilocularis ATP binding cassette sub family B 0.0021 0.0114 0.0095
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0129 0.0142
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0169 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0169 0.0264
Echinococcus multilocularis ATP binding cassette sub family G 0.002 0.0102 0.0059
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0129 0.0142
Entamoeba histolytica P-glycoprotein-2, putative 0.0021 0.0129 0.0035
Entamoeba histolytica P-glyco protein 6, putative 0.0021 0.0129 0.0035
Schistosoma mansoni rab6-interacting 0.002 0.0082 0.0245
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0021 0.0129 0.4058
Mycobacterium ulcerans monoamine oxidase 0.0022 0.0169 0.0068
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0104
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0255 0.7958 0.8579
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0129 0.0142
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.3362 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0021 0.0129 0.0035
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0255 0.7958 1
Onchocerca volvulus 0.0021 0.0129 0.0059
Mycobacterium ulcerans dehydrogenase 0.0022 0.0169 0.0068
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0129 0.0142
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0021 0.0129 0.4058
Brugia malayi ABC transporter family protein 0.0021 0.0129 0.0162
Echinococcus multilocularis multidrug resistance protein 1 0.0021 0.0129 0.0142
Onchocerca volvulus 0.0255 0.7958 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0022 0.0169 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0361 0.0453
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0022 0.0169 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0293 0.9255 1
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0043 0.0854 0.2351
Plasmodium vivax ABC transporter G family member 2, putative 0.002 0.0102 0.2248
Brugia malayi hypothetical protein 0.0022 0.0169 0.0212
Brugia malayi multidrug resistance protein 3 0.0021 0.0129 0.0162
Echinococcus multilocularis netrin receptor unc 5 0.0028 0.0361 0.0849
Mycobacterium tuberculosis Possible oxidoreductase 0.0022 0.0169 0.0044
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0022 0.0169 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0129 0.0142
Plasmodium falciparum protoporphyrinogen oxidase 0.0022 0.0169 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0022 0.0169 1
Onchocerca volvulus 0.0022 0.0169 0.011
Echinococcus granulosus Ankyrin 0.0028 0.0361 0.0849
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0022 0.0169 0.0068
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0255 0.7958 1
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0129 0.0035
Schistosoma mansoni hypothetical protein 0.002 0.0082 0.0245
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0143
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0021 0.0129 0.0142
Schistosoma mansoni lipoxygenase 0.0082 0.2177 0.6475
Loa Loa (eye worm) hypothetical protein 0.0028 0.0361 0.0453
Toxoplasma gondii histone lysine-specific demethylase 0.0022 0.0169 1
Entamoeba histolytica P-glycoprotein-5 0.0021 0.0129 0.0035
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0102 0.0059
Brugia malayi Protein kinase domain containing protein 0.0028 0.0361 0.0453
Schistosoma mansoni amine oxidase 0.0022 0.0169 0.0502
Trypanosoma brucei ATP-binding cassette protein, putative 0.002 0.0102 0.5
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0028 0.0361 0.0849
Mycobacterium ulcerans oxidoreductase 0.0022 0.0169 0.0068
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0021 0.0129 0.0162
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0255 0.7958 1
Schistosoma mansoni lipoxygenase 0.0118 0.3362 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0129 0.0162
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0129 0.0142
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0022 0.0169 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0021 0.0129 0.0142
Schistosoma mansoni amine oxidase 0.0022 0.0169 0.0502
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0043 0.0854 0.2351
Trypanosoma cruzi UDP-galactopyranose mutase 0.0022 0.0169 1
Brugia malayi Doublecortin family protein 0.002 0.0082 0.0104
Schistosoma mansoni rab6-interacting 0.002 0.0082 0.0245
Echinococcus multilocularis protoporphyrinogen oxidase 0.0022 0.0169 0.0264
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0361 0.0453
Schistosoma mansoni netrin receptor unc5 0.0028 0.0361 0.1073
Plasmodium vivax hypothetical protein, conserved 0.0022 0.0169 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0169 0.0044
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0028 0.0361 0.1073
Plasmodium vivax multidrug resistance protein 1, putative 0.0021 0.0129 0.5394
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0255 0.7958 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0022 0.0169 0.0264
Schistosoma mansoni hypothetical protein 0.0028 0.0361 0.1073
Brugia malayi hypothetical protein 0.002 0.0082 0.0104
Onchocerca volvulus Netrin receptor homolog 0.0028 0.0361 0.0353
Plasmodium falciparum multidrug resistance protein 1 0.0021 0.0129 0.5394
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0255 0.7958 0.7937
Brugia malayi Uncoordinated protein 44 0.0028 0.0361 0.0453
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0043 0.0854 0.2351
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0021 0.0129 0.4058
Schistosoma mansoni multidrug resistance protein 0.0021 0.0129 0.0384
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0022 0.0169 1
Echinococcus granulosus ATP binding cassette sub family G 0.002 0.0102 0.0059
Schistosoma mansoni tumor necrosis factor receptor related 0.0043 0.0854 0.2539
Schistosoma mansoni smdr2 0.0021 0.0129 0.0384
Chlamydia trachomatis protoporphyrinogen oxidase 0.0022 0.0169 1
Schistosoma mansoni polycystin 1-related 0.002 0.0082 0.0245
Entamoeba histolytica P-glycoprotein-1 0.0021 0.0129 0.0035
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.3362 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0104
Loa Loa (eye worm) multidrug resistance protein 3 0.0021 0.0129 0.0162
Loa Loa (eye worm) hypothetical protein 0.0022 0.0169 0.0212
Loa Loa (eye worm) doublecortin family protein 0.002 0.0082 0.0104
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0021 0.0114 0.0095
Echinococcus granulosus death domain containing protein 0.0028 0.0361 0.0849
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0043 0.0854 0.2351
Schistosoma mansoni loxhd1 0.002 0.0082 0.0245
Echinococcus granulosus multidrug resistance protein 1 0.0021 0.0129 0.0142
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0255 0.7958 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0022 0.0169 0.0264
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0255 0.7958 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0316 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0022 0.0169 0.0212
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0255 0.7958 1
Entamoeba histolytica P-glycoprotein-2 0.0021 0.0129 0.0035
Plasmodium falciparum ABC transporter G family member 2 0.002 0.0102 0.2248
Trypanosoma brucei ABC transporter, putative 0.002 0.0102 0.5
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.002 0.0102 0.0303
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0022 0.0169 0.0502

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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.

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