Detailed information for compound 1478120

Basic information

Technical information
  • TDR Targets ID: 1478120
  • Name: N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4 -yl]pyrazol-3-yl]cyclopropanecarboxamide
  • MW: 366.457 | Formula: C21H26N4O2
  • H donors: 1 H acceptors: 3 LogP: 2.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC1)Nc1ccnn1C1CCN(CC1)C(=O)Cc1cccc(c1)C
  • InChi: 1S/C21H26N4O2/c1-15-3-2-4-16(13-15)14-20(26)24-11-8-18(9-12-24)25-19(7-10-22-25)23-21(27)17-5-6-17/h2-4,7,10,13,17-18H,5-6,8-9,11-12,14H2,1H3,(H,23,27)
  • InChiKey: GOXVCKCGHTVJLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[1-[2-(3-methylphenyl)acetyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide
  • N-[2-[1-[2-(3-methylphenyl)-1-oxoethyl]-4-piperidinyl]-3-pyrazolyl]cyclopropanecarboxamide
  • N-[2-[1-[2-(3-methylphenyl)ethanoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1274 0.8444
Loa Loa (eye worm) hypothetical protein 0.0683 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0536 0.022
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0041 0.0323 0.0949
Brugia malayi cytochrome P450 0.0041 0.0323 0.0323
Toxoplasma gondii cytochrome p450 superfamily protein 0.0041 0.0323 0.6999
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1274 0.8444
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1274 0.8444
Plasmodium falciparum glutathione reductase 0.0046 0.0392 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0683 1 1
Brugia malayi Cytochrome P450 family protein 0.0143 0.1857 0.1857
Brugia malayi Thioredoxin reductase 0.0046 0.0392 0.0392
Brugia malayi glutathione reductase 0.0046 0.0392 0.0392
Brugia malayi Cytochrome P450 family protein 0.0143 0.1857 0.1857
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0392 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.022
Echinococcus multilocularis inhibitor of apoptosis protein 0.0683 1 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0041 0.0323 0.0949
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1449 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0683 1 1
Leishmania major cytochrome p450-like protein 0.0041 0.0323 0.0949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.022
Mycobacterium tuberculosis Probable reductase 0.0104 0.1274 0.8444
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1274 0.8444
Loa Loa (eye worm) hypothetical protein 0.0683 1 1
Schistosoma mansoni inhibitor of apoptosis protein 0.0683 1 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0392 0.0233
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0536 0.0536
Loa Loa (eye worm) cytochrome P450 family protein 0.0041 0.0323 0.0163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0536 0.022
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1274 0.8444
Loa Loa (eye worm) cytochrome P450 family protein 0.0143 0.1857 0.1722
Loa Loa (eye worm) hypothetical protein 0.0102 0.1237 0.1093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0536 0.022
Loa Loa (eye worm) cytochrome P450 0.0041 0.0323 0.0163
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0392 0.0612
Plasmodium falciparum thioredoxin reductase 0.0046 0.0392 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0536 0.038
Leishmania major cytochrome p450-like protein 0.0143 0.1857 1
Onchocerca volvulus 0.0683 1 0.5
Leishmania major cytochrome p450-like protein 0.0041 0.0323 0.0949
Toxoplasma gondii thioredoxin reductase 0.0046 0.0392 1
Onchocerca volvulus Deterin homolog 0.0683 1 0.5
Brugia malayi Cytochrome P450 family protein 0.0041 0.0323 0.0323
Plasmodium vivax glutathione reductase, putative 0.0046 0.0392 1
Trypanosoma brucei trypanothione reductase 0.0046 0.0392 0.1356
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0041 0.0323 0.0949
Trypanosoma cruzi cytochrome P450, putative 0.0143 0.1857 1
Trypanosoma brucei cytochrome P450, putative 0.0143 0.1857 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1274 0.8444
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1449 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0041 0.0323 0.0949
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0143 0.1857 1
Loa Loa (eye worm) CYP4Cod1 0.0143 0.1857 0.1722
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0392 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0683 1 1
Brugia malayi hypothetical protein 0.003 0.0163 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.022
Brugia malayi Cytochrome P450 family protein 0.0041 0.0323 0.0323
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0392 0.1356
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0041 0.0323 0.0949
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0683 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1449 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1449 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0683 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0143 0.1857 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0401 0.0081
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0401 0.0081
Loa Loa (eye worm) cytochrome P450 family protein 0.0143 0.1857 0.1722
Leishmania major trypanothione reductase 0.0046 0.0392 0.1356
Schistosoma mansoni hypothetical protein 0.0683 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0536 0.022

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 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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