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

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

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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