Detailed information for compound 1354902

Basic information

Technical information
  • TDR Targets ID: 1354902
  • Name: 1-[acetyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol -4-yl)amino]-N-cyclopentylcyclohexane-1-carbo xamide
  • MW: 438.562 | Formula: C25H34N4O3
  • H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N(C1(CCCCC1)C(=O)NC1CCCC1)c1c(C)n(n(c1=O)c1ccccc1)C
  • InChi: 1S/C25H34N4O3/c1-18-22(23(31)29(27(18)3)21-14-6-4-7-15-21)28(19(2)30)25(16-10-5-11-17-25)24(32)26-20-12-8-9-13-20/h4,6-7,14-15,20H,5,8-13,16-17H2,1-3H3,(H,26,32)
  • InChiKey: ZTGQUXLCGNRDHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[acetyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-N-cyclopentyl-cyclohexane-1-carboxamide
  • 1-[acetyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-N-cyclopentyl-1-cyclohexanecarboxamide
  • 1-[acetyl-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)amino]-N-cyclopentyl-cyclohexane-1-carboxamide
  • N-cyclopentyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-ethanoyl-amino]cyclohexane-1-carboxamide
  • UNM000000733401
  • MLS000878976
  • 1-[acetyl(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-N-cyclopentylcyclohexanecarboxamide
  • MLS000044179
  • SMR000021963
  • EU-0088041

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 polymerase (DNA directed), eta 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
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Trypanosoma brucei unspecified product 0.0016 0.1618 0.1887
Leishmania major DNA polymerase eta, putative 0.0054 0.7158 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.3713 0.4955
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.2673 0.3232
Leishmania major DNA polymerase eta, putative 0.0038 0.4814 0.6568
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.2673 0.3232
Echinococcus multilocularis dna polymerase eta 0.0054 0.7158 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.2673 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0839 0.0747
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1618 0.1887
Echinococcus multilocularis dna polymerase kappa 0.0023 0.2673 0.3232
Brugia malayi hypothetical protein 0.002 0.214 0.2651
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3713 0.4955
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8854 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Schistosoma mansoni cpg binding protein 0.0035 0.4331 0.4331
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Giardia lamblia DINP protein human, muc B family 0.0023 0.2673 1
Trypanosoma brucei unspecified product 0.0023 0.2673 0.3432
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2673 0.3432
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0839 0.0465
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.2673 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.2673 0.3232
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2673 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2673 0.3432
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0819 0.0717
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4331 0.5861
Brugia malayi CXXC zinc finger family protein 0.0035 0.4331 0.5861
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0839 0.0465
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2673 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Echinococcus multilocularis cpg binding protein 0.0037 0.4619 0.617
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.7158 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Schistosoma mansoni DNA polymerase eta 0.0054 0.7158 0.7158
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.1265 0.1108
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2673 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.2673 0.3432
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2673 0.3432
Loa Loa (eye worm) hypothetical protein 0.003 0.3713 0.4955
Brugia malayi hypothetical protein 0.003 0.3713 0.4955
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.3713 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.1265 0.1108
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.7158 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.3713 0.4955
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.4814 0.5261
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.2673 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1618 0.1887
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.2673 0.2673
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.1618 0.1887
Schistosoma mansoni hypothetical protein 0.0014 0.1265 0.1265
Trypanosoma brucei unspecified product 0.0016 0.1618 0.1887
Echinococcus granulosus dna polymerase eta 0.0054 0.7158 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.7158 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3713 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2673 0.3432
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Echinococcus granulosus cpg binding protein 0.0037 0.4619 0.617
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.2673 0.2673
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0329 0.0329
Leishmania major hypothetical protein, conserved 0.003 0.3713 0.4955
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2673 1
Onchocerca volvulus 0.0035 0.4331 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.7158 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2673 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.4814 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2673 0.3432
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.3713 0.3969
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0531 0.0531
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.3713 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5171 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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