Detailed information for compound 506987

Basic information

Technical information
  • TDR Targets ID: 506987
  • Name: N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidi n-4-yl]-2-(4-fluorophenyl)-7-(2-methoxyethoxy )pyrazolo[1,5-a]pyridin-5-amine
  • MW: 530.636 | Formula: C30H35FN6O2
  • H donors: 2 H acceptors: 3 LogP: 5.76 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCOc1cc(NC2CCCC2)cc2n1nc(c2c1ccnc(n1)NC1CCCC1)c1ccc(cc1)F
  • InChi: 1S/C30H35FN6O2/c1-38-16-17-39-27-19-24(33-22-6-2-3-7-22)18-26-28(29(36-37(26)27)20-10-12-21(31)13-11-20)25-14-15-32-30(35-25)34-23-8-4-5-9-23/h10-15,18-19,22-23,33H,2-9,16-17H2,1H3,(H,32,34,35)
  • InChiKey: VCIZRSUVLUDTDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-7-(2-methoxyethoxy)-5-pyrazolo[1,5-a]pyridinamine
  • cyclopentyl-[4-[5-(cyclopentylamino)-2-(4-fluorophenyl)-7-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amine
  • cyclopentyl-[3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-(2-methoxyethoxy)pyrazolo[1,5-a]pyridin-5-yl]amine

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
Echinococcus multilocularis acetylcholinesterase 0.4004 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0048 0.0089 0.0077
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0053 0.0101 0.0013
Brugia malayi hypothetical protein 0.0017 0.0011 0.0011
Schistosoma mansoni lamin 0.0023 0.0027 0.0016
Echinococcus multilocularis NMDA receptor 0.002 0.0019 0.0008
Mycobacterium tuberculosis Carboxylesterase LipT 0.0676 0.1664 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0052 0.0099 0.5
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.002 0.0019 0.0008
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0101 0.0013
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0676 0.1664 0.1654
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0027 0.0027
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0027 0.0027
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0045 0.0034
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Echinococcus multilocularis acetylcholinesterase 0.4004 1 1
Brugia malayi Carboxylesterase family protein 0.4004 1 1
Onchocerca volvulus 0.0676 0.1664 1
Echinococcus multilocularis nmda type glutamate receptor 0.0072 0.0149 0.0138
Onchocerca volvulus 0.0676 0.1664 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.002 0.0019 0.0008
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0026
Schistosoma mansoni glutamate receptor NMDA 0.0031 0.0045 0.0034
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0052 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0011
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0037 0.0061 0.3301
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0031 0.0046 0.0358
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0052 0.0099 0.5
Onchocerca volvulus 0.0676 0.1664 1
Schistosoma mansoni glutamate receptor kainate 0.002 0.0019 0.0008
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0086 0.0183 0.3871
Onchocerca volvulus 0.0676 0.1664 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0676 0.1664 0.1654
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0045 0.0034
Onchocerca volvulus 0.0023 0.0027 0.0095
Brugia malayi hypothetical protein 0.0017 0.0011 0.0011
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0072 0.0149 0.0138
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0053 0.0101 0.0089
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0037 0.0061 0.3301
Leishmania major mitochondrial DNA polymerase beta 0.0181 0.0423 1
Loa Loa (eye worm) acetyltransferase 0.0126 0.0283 0.0283
Schistosoma mansoni hypothetical protein 0.002 0.0019 0.0008
Echinococcus multilocularis lamin dm0 0.0023 0.0027 0.0016
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0031 0.0045 0.0034
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0181 0.0423 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0045 0.0034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0101 0.0013
Schistosoma mansoni acetylcholinesterase 0.0676 0.1664 0.1654
Mycobacterium tuberculosis Conserved hypothetical protein 0.0095 0.0208 0.0698
Mycobacterium ulcerans aldehyde dehydrogenase 0.0053 0.0101 0.0013
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0676 0.1664 0.1654
Echinococcus multilocularis glutamate receptor subunit protein glur 0.002 0.0019 0.0008
Echinococcus multilocularis glutamate receptor 2 0.0031 0.0045 0.0034
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0676 0.1664 0.1654
Brugia malayi Glutamate receptor 1 precursor 0.002 0.0019 0.0019
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0045 0.0034
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0171 0.0396 0.0385
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.002 0.0019 0.0008
Echinococcus granulosus glutamate NMDA receptor subunit 0.0171 0.0396 0.0385
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0027 0.0027
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.0075 0.0075
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0048 0.0089 0.0077
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Schistosoma mansoni lamin 0.0023 0.0027 0.0016
Schistosoma mansoni ATP-binding cassette transporter 0.002 0.0019 0.0008
Echinococcus granulosus glutamate receptor subunit protein glur 0.002 0.0019 0.0008
Brugia malayi Carboxylesterase family protein 0.0676 0.1664 0.1664
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0086 0.0183 0.3871
Echinococcus granulosus carboxylesterase 5A 0.4004 1 1
Loa Loa (eye worm) doublecortin family protein 0.0017 0.0011 0.0011
Brugia malayi acetyltransferase, GNAT family protein 0.0126 0.0283 0.0283
Schistosoma mansoni gliotactin 0.0676 0.1664 0.1654
Schistosoma mansoni hypothetical protein 0.0115 0.0256 0.0245
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0037 0.0061 1
Echinococcus multilocularis geminin 0.0115 0.0256 0.0245
Loa Loa (eye worm) glutamate receptor 1 0.002 0.0019 0.0019
Echinococcus granulosus intermediate filament protein 0.0023 0.0027 0.0016
Loa Loa (eye worm) hypothetical protein 0.0017 0.0011 0.0011
Onchocerca volvulus 0.0676 0.1664 1
Echinococcus granulosus glutamate receptor 2 0.0031 0.0045 0.0034
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0101 0.0089
Loa Loa (eye worm) hypothetical protein 0.4004 1 1
Schistosoma mansoni glutamate receptor NMDA 0.0171 0.0396 0.0385
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0031 0.0045 0.0034
Loa Loa (eye worm) carboxylesterase 0.0676 0.1664 0.1664
Plasmodium falciparum histone acetyltransferase GCN5 0.0034 0.0053 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0181 0.0423 1
Brugia malayi hypothetical protein 0.0676 0.1664 0.1664
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Loa Loa (eye worm) acetylcholinesterase 1 0.4004 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0676 0.1664 1
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Mycobacterium ulcerans hypothetical protein 0.0095 0.0208 0.0698
Echinococcus multilocularis neuroligin 0.0676 0.1664 0.1654
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0126 0.0283 0.0272
Loa Loa (eye worm) hypothetical protein 0.4004 1 1
Loa Loa (eye worm) glutamate receptor 2 0.002 0.0019 0.0019
Schistosoma mansoni glutamate receptor AMPA 0.002 0.0019 0.0008
Echinococcus granulosus lamin 0.0023 0.0027 0.0016
Brugia malayi Carboxylesterase family protein 0.0676 0.1664 0.1664
Brugia malayi intermediate filament protein 0.0023 0.0027 0.0027
Chlamydia trachomatis glutamine binding protein 0.0052 0.0099 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0031 0.0045 0.0034
Schistosoma mansoni BC026374 protein (S09 family) 0.0676 0.1664 0.1654
Echinococcus multilocularis BC026374 protein (S09 family) 0.0676 0.1664 0.1654
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0676 0.1664 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0037 0.0061 0.005
Echinococcus granulosus histone acetyltransferase KAT2B 0.0122 0.0275 0.0263
Schistosoma mansoni glutamate receptor AMPA 0.002 0.0019 0.0008
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0676 0.1664 0.1654
Schistosoma mansoni glutamate receptor kainate 0.002 0.0019 0.0008
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Entamoeba histolytica acetyltransferase, GNAT family 0.0034 0.0053 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0181 0.0423 1
Echinococcus granulosus acetylcholinesterase 0.4004 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.4004 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.002 0.0019 0.0008
Echinococcus granulosus lamin dm0 0.0023 0.0027 0.0016
Schistosoma mansoni aldehyde dehydrogenase 0.0053 0.0101 0.0089
Echinococcus granulosus geminin 0.0115 0.0256 0.0245
Echinococcus multilocularis glutamate receptor 2 0.002 0.0019 0.0008
Brugia malayi Glutamate receptor 2 precursor 0.002 0.0019 0.0019
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0676 0.1664 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0053 0.0101 0.0089
Echinococcus granulosus nmda type glutamate receptor 0.0072 0.0149 0.0138
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0031 0.0045 0.0034
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0676 0.1664 1
Toxoplasma gondii aldehyde dehydrogenase 0.0053 0.0101 1
Schistosoma mansoni glutamate receptor kainate 0.002 0.0019 0.0008
Brugia malayi Cytochrome P450 family protein 0.0042 0.0075 0.0075
Echinococcus granulosus glutamate receptor ionotropic kainate 0.002 0.0019 0.0008
Echinococcus granulosus BC026374 protein S09 family 0.0676 0.1664 0.1654
Loa Loa (eye worm) hypothetical protein 0.0676 0.1664 0.1664
Schistosoma mansoni hypothetical protein 0.0115 0.0256 0.0245
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0086 0.0183 0.2576
Brugia malayi Doublecortin family protein 0.0017 0.0011 0.0011
Echinococcus multilocularis carboxylesterase 5A 0.4004 1 1
Onchocerca volvulus 0.0023 0.0027 0.0095
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0126 0.0283 0.0272
Loa Loa (eye worm) hypothetical protein 0.0023 0.0027 0.0027
Brugia malayi Carboxylesterase family protein 0.0676 0.1664 0.1664
Schistosoma mansoni intermediate filament proteins 0.0023 0.0027 0.0016
Echinococcus granulosus acetylcholinesterase 0.4004 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0676 0.1664 1
Echinococcus granulosus neuroligin 0.0676 0.1664 0.1654
Echinococcus granulosus para nitrobenzyl esterase 0.0676 0.1664 0.1654
Loa Loa (eye worm) carboxylesterase 0.4004 1 1
Echinococcus multilocularis lamin 0.0023 0.0027 0.0016
Echinococcus multilocularis musashi 0.0023 0.0027 0.0016
Giardia lamblia Histone acetyltransferase GCN5 0.0034 0.0053 0.5
Schistosoma mansoni lipoxygenase 0.0048 0.0089 0.0077
Loa Loa (eye worm) carboxylesterase 0.0676 0.1664 0.1664
Brugia malayi Carboxylesterase family protein 0.0676 0.1664 0.1664
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0676 0.1664 0.1654
Schistosoma mansoni neuroligin 3 (S09 family) 0.0676 0.1664 0.1654

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 32.5 uM Cytotoxicity against african green monkey Vero cells ChEMBL. 18086523
IC50 (functional) = 0.08 uM Antiviral activity against HSV1 SC16 in african green monkey Vero cells ChEMBL. 18086523

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

1 literature reference was collected for this gene.

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