Detailed information for compound 1314807

Basic information

Technical information
  • TDR Targets ID: 1314807
  • Name: 1-(4-chlorophenyl)-6-methyl-5-[4-(4-methylpip eridin-1-yl)phenyl]pyrazolo[4,5-e]pyrimidin-4 -one
  • MW: 433.933 | Formula: C24H24ClN5O
  • H donors: 0 H acceptors: 2 LogP: 4.77 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)c1ccc(cc1)n1c(C)nc2c(c1=O)cnn2c1ccc(cc1)Cl
  • InChi: 1S/C24H24ClN5O/c1-16-11-13-28(14-12-16)19-7-9-20(10-8-19)29-17(2)27-23-22(24(29)31)15-26-30(23)21-5-3-18(25)4-6-21/h3-10,15-16H,11-14H2,1-2H3
  • InChiKey: FCPILGUUNQWDPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-6-methyl-5-[4-(4-methyl-1-piperidyl)phenyl]pyrazolo[4,5-e]pyrimidin-4-one
  • 1-(4-chlorophenyl)-6-methyl-5-[4-(4-methyl-1-piperidinyl)phenyl]-4-pyrazolo[4,5-e]pyrimidinone
  • SMR000127727
  • 1-(4-chlorophenyl)-6-methyl-5-[4-(4-methyl-1-piperidinyl)phenyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
  • AP-064/43237375
  • MLS000522460

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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 0.0283 0.139 0.139
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.019 0.0664 0.0664
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6793 0.6793
Entamoeba histolytica hypothetical protein 0.0266 0.1255 0.1255
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.066 0.4316 0.4316
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.058 0.3695 0.3695
Leishmania major phosphatidylinositol 3-kinase, putative 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.5659 0.5659
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.019 0.0664 0.0664
Schistosoma mansoni hypothetical protein 0.0203 0.0769 0.0769
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0266 0.1255 0.1255
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Entamoeba histolytica hypothetical protein 0.0169 0.0505 0.0505
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.7793 0.7793
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.5659 0.5659
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0113 0.007 0.007
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0123 0.0148 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0123 0.0148 0.0148
Toxoplasma gondii FATC domain-containing protein 0.0266 0.1255 0.1734
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.7793 0.7793
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.7793 0.7793
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1409 0.1409
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.019 0.0664 0.0664
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0134 0.0232 0.0232
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0266 0.1255 0.1255
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1109 0.7802 0.7802
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0935 0.6449 0.6449
Schistosoma mansoni fkbp-rapamycin associated protein 0.0266 0.1255 0.1255
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0286 0.1409 0.1409
Echinococcus multilocularis serine protein kinase ATM 0.0266 0.1255 0.1255
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0154 0.0391 0.0391
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0123 0.0148 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.7793 0.7793
Loa Loa (eye worm) hypothetical protein 0.0266 0.1255 0.1255
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0469 0.2832 0.2832
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1255 0.1255
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0158 0.0421 0.0421
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0173 0.0536 0.0536
Toxoplasma gondii target of rapamycin (TOR), putative 0.1036 0.7236 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0278 0.1347 0.1347
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.019 0.0664 0.0664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Loa Loa (eye worm) phosphatidylinositol 3 0.0469 0.2832 0.2832
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0123 0.0148 0.0148
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0469 0.2832 0.2832
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0296 0.1488 0.2056
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.019 0.0664 0.0664
Trichomonas vaginalis conserved hypothetical protein 0.0296 0.1488 0.1488
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1109 0.7802 0.7802
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0825 0.5596 0.5596
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.0536 0.0536
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1255 0.1255
Loa Loa (eye worm) hypothetical protein 0.0296 0.1488 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Loa Loa (eye worm) phosphatidylinositol 3 0.0257 0.1189 0.1189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0376 0.2109 0.2109
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0278 0.1347 0.1347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1409 0.1409
Entamoeba histolytica protein kinase rad3, putative 0.0266 0.1255 0.1255
Trypanosoma cruzi target of rapamycin kinase 3 0.1109 0.7802 0.7802
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0123 0.0148 0.0148
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0123 0.0148 0.0148
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0266 0.1255 0.1255
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0278 0.1347 0.1347
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.019 0.0664 0.0664
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.1189 0.8423 0.8423
Trichomonas vaginalis PIKK family atypical protein kinase 0.1108 0.7793 0.7793
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.019 0.0664 0.0664
Loa Loa (eye worm) hypothetical protein 0.0173 0.0536 0.0536
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0169 0.0505 0.0505
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0123 0.0148 0.0148
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0469 0.2832 0.2832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0905 0.6216 0.6216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0825 0.5596 0.5596
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0266 0.1255 0.1255
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0469 0.2832 0.2832
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0266 0.1255 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0123 0.0148 0.0148
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0158 0.0421 0.0421
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0769 0.0769
Brugia malayi hypothetical protein 0.0286 0.1409 0.1409
Brugia malayi FAT domain containing protein 0.0203 0.0769 0.0769
Trichomonas vaginalis PIKK family atypical protein kinase 0.0469 0.2832 0.2832
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0154 0.0391 0.0391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0752 0.503 0.503
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0203 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0154 0.0391 0.0391
Trichomonas vaginalis PIKK family atypical protein kinase 0.0753 0.5039 0.5039
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0123 0.0148 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1036 0.7236 0.7236
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0203 0.0769 0.0769
Echinococcus granulosus serine protein kinase ATM 0.0266 0.1255 0.1255
Loa Loa (eye worm) hypothetical protein 0.0203 0.0769 0.0769
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0138 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0833 0.5659 0.5659
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0154 0.0391 0.0391

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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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