Detailed information for compound 1502064

Basic information

Technical information
  • TDR Targets ID: 1502064
  • Name: 1-(3,4-dimethoxyphenyl)-N-propan-2-ylcyclopen tane-1-carboxamide
  • MW: 291.385 | Formula: C17H25NO3
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C1(CCCC1)C(=O)NC(C)C
  • InChi: 1S/C17H25NO3/c1-12(2)18-16(19)17(9-5-6-10-17)13-7-8-14(20-3)15(11-13)21-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,19)
  • InChiKey: WRRAZMNKERJOCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3,4-dimethoxyphenyl)-N-isopropyl-cyclopentane-1-carboxamide
  • 1-(3,4-dimethoxyphenyl)-N-isopropyl-1-cyclopentanecarboxamide
  • 1-(3,4-dimethoxyphenyl)-N-propan-2-yl-cyclopentane-1-carboxamide
  • 1-(3,4-dimethoxyphenyl)-N-isopropylcyclopentanecarboxamide
  • MLS000064695
  • SMR000077478
  • ZINC00612832

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
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
Echinococcus granulosus dnaJ subfamily B 0.0494 0.9666 0.9665
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0989 1
Brugia malayi mbt repeat family protein 0.0058 0.0989 0.094
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0989 0.0976
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4357 0.45
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0533 0.0479
Trichomonas vaginalis helicase, putative 0.0008 0 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0057 0.0042
Loa Loa (eye worm) hypothetical protein 0.0058 0.0989 0.0937
Schistosoma mansoni cytochrome b 0.0511 1 1
Brugia malayi mbt repeat family protein 0.0058 0.0989 0.094
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1148 0.1174
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1148 0.1174
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0989 0.1009
Schistosoma mansoni cpg binding protein 0.0037 0.0573 0.0558
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0115 0.0104
Echinococcus multilocularis cpg binding protein 0.0037 0.0573 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.1148 0.1097
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0449 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1148 0.1134
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.9666 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0449 0.0394
Schistosoma mansoni hypothetical protein 0.035 0.6807 0.6802
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0573 0.0558
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0057 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Toxoplasma gondii apocytochrome b, putative 0.0511 1 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0989 0.0937
Brugia malayi hypothetical protein 0.003 0.0449 0.0397
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0115 0.01
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0511 1 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.115 0.0734
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1148 0.1134
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0449 0.5
Brugia malayi hypothetical protein 0.002 0.0235 0.0181
Schistosoma mansoni hypothetical protein 0.0494 0.9666 0.9665
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0989 0.0976
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1148 0.1134
Echinococcus granulosus cpg binding protein 0.0037 0.0573 0.0558
Loa Loa (eye worm) MBCTL1 0.0066 0.1148 0.1097
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0449 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0989 0.1009
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0533 0.0519
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0989 0.0976
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1148 0.1099
Echinococcus granulosus cytochrome B 0.0511 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0989 0.0976
Plasmodium falciparum cytochrome b 0.0511 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0533 0.0482
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0989 0.0976
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4357 0.4349
Toxoplasma gondii cytochrome b 0.0511 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0449 0.5
Onchocerca volvulus 0.0058 0.0989 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1307 0.1293
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Loa Loa (eye worm) cytochrome b 0.0511 1 1
Plasmodium vivax cytochrome b 0.0511 1 1
Schistosoma mansoni hypothetical protein 0.0014 0.0115 0.01
Schistosoma mansoni cytochrome b 0.0511 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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