Detailed information for compound 1406874

Basic information

Technical information
  • TDR Targets ID: 1406874
  • Name: N-(cyclopentylideneamino)-5-phenyl-2H-pyrazol e-3-carboxamide
  • MW: 268.314 | Formula: C15H16N4O
  • H donors: 2 H acceptors: 2 LogP: 2.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc([nH]n1)c1ccccc1)NN=C1CCCC1
  • InChi: 1S/C15H16N4O/c20-15(19-16-12-8-4-5-9-12)14-10-13(17-18-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,17,18)(H,19,20)
  • InChiKey: IABHZYFXUKMTDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000569485
  • SMR000174756
  • BAS 00389995
  • 5-Phenyl-2H-pyrazole-3-carboxylic acid cyclopentylidene-hydrazide
  • ST5226645

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens growth factor, augmenter of liver regeneration Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
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
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.122 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.122 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0036 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0369 0.0369
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0926 1
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0674 0.0674
Brugia malayi hypothetical protein 0.0032 0.0197 0.037
Schistosoma mansoni hypothetical protein 0.0022 0.0077 0.0077
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0251 0.2413
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1819 0.1819
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0362 0.0362
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.031 0.3082
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0413 1
Onchocerca volvulus Huntingtin homolog 0.0124 0.1319 0.0894
Brugia malayi MH2 domain containing protein 0.0236 0.2692 0.5051
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0437 0.4513
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0437 0.4513
Brugia malayi hypothetical protein 0.0071 0.0674 0.1264
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0926 0.0926
Echinococcus multilocularis geminin 0.0335 0.3903 0.3903
Brugia malayi hypothetical protein 0.0124 0.1319 0.2475
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0674 0.0674
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0036 0.0036
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0251 0.0251
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0413 0.9394
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0926 0.0926
Brugia malayi hypothetical protein 0.0452 0.5329 1
Entamoeba histolytica hypothetical protein 0.0071 0.0674 0.7169
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0251 0.2413
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.1819 0.1819
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0362 0.068
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0251 0.2413
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0437 0.0437
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0251 0.2413
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0437 0.4513
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0413 1
Schistosoma mansoni alpha-glucosidase 0.0142 0.1539 0.1539
Plasmodium falciparum glutathione reductase 0.0046 0.0362 0.8649
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0437 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0251 0.2413
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0251 0.2413
Leishmania major trypanothione reductase 0.0046 0.0362 0.3667
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.031 0.0582
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0413 0.424
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0437 0.4513
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0036 0.5
Brugia malayi Thioredoxin reductase 0.0046 0.0362 0.068
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0926 0.0926
Plasmodium falciparum thioredoxin reductase 0.0046 0.0362 0.8649
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0437 0.0437
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0251 0.5347
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.031 0.6829
Entamoeba histolytica hypothetical protein 0.0071 0.0674 0.7169
Schistosoma mansoni hypothetical protein 0.0071 0.0674 0.0674
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0369 0.0693
Brugia malayi hypothetical protein 0.005 0.0413 0.0775
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0251 0.047
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0437 0.4513
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0926 0.1737
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0362 0.3662
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0437 0.4513
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0437 0.4513
Loa Loa (eye worm) hypothetical protein 0.005 0.0413 0.0775
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0369 0.0369
Leishmania major hypothetical protein, conserved 0.005 0.0413 0.424
Schistosoma mansoni hypothetical protein 0.0335 0.3903 0.3903
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.2692 0.5051
Trypanosoma brucei polo-like protein kinase 0.0092 0.0926 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.1078 0.8799
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0077 0.0077
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.031 0.031
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0251 0.047
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.2692 0.5051
Trypanosoma brucei trypanothione reductase 0.0046 0.0362 0.3667
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0251 0.2413
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0437 0.4513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0369 0.0369
Onchocerca volvulus 0.0095 0.0969 0.0099
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0036 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0926 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.1819 0.3414
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.031 0.031
Echinococcus granulosus geminin 0.0335 0.3903 0.3903
Onchocerca volvulus Huntingtin homolog 0.0124 0.1319 0.0894
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.031 0.6829
Brugia malayi Augmenter of liver regeneration 0.0041 0.031 0.0582
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0251 0.2413
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.031 0.3082
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1078 0.8799
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0413 0.424
Brugia malayi MAP kinase sur-1 0.0052 0.0437 0.0821
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0437 0.0437
Leishmania major hypothetical protein, conserved 0.0041 0.031 0.3082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0674 0.0674
Schistosoma mansoni alpha-glucosidase 0.0142 0.1539 0.1539
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0036 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.031 0.3082
Loa Loa (eye worm) hypothetical protein 0.0452 0.5329 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0437 0.0821
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0077 0.0077
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0437 0.4513
Entamoeba histolytica hypothetical protein 0.0071 0.0674 0.7169
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0362 0.3667
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0369 0.0369
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.1819 0.3414
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1078 0.8799
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0437 0.4513
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.0036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0369 0.0369
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.122 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.122 1
Schistosoma mansoni ap endonuclease 0.0019 0.0036 0.0036
Entamoeba histolytica hypothetical protein 0.0071 0.0674 0.7169
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0926 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0251 0.2413
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0413 0.424
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0437 0.4513
Schistosoma mansoni hypothetical protein 0.0335 0.3903 0.3903
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1819 0.1819
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0251 0.2413
Brugia malayi glutathione reductase 0.0046 0.0362 0.068
Schistosoma mansoni kinase 0.0047 0.0376 0.0376
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0362 0.2754
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1078 0.8799
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0036 0.0067
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0251 0.2413
Loa Loa (eye worm) hypothetical protein 0.0124 0.1319 0.2475
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0926 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1078 0.8799
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0036 0.5
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.031 0.7269
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0362 0.8649
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.031 0.7269
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0369 0.0369
Trypanosoma brucei glucosidase, putative 0.0037 0.0251 0.2413
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0251 0.2413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0369 0.0369
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0926 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0362 0.3662
Giardia lamblia Kinase, PLK 0.0092 0.0926 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1319 0.2475
Toxoplasma gondii thioredoxin reductase 0.0046 0.0362 0.8126
Onchocerca volvulus 0.0452 0.5329 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.031 0.3082
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1078 0.8799
Loa Loa (eye worm) glutathione reductase 0.0046 0.0362 0.068
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0413 1
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0437 0.0437
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0926 0.1737
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0369 0.0693
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0251 0.2413
Plasmodium vivax glutathione reductase, putative 0.0046 0.0362 0.8649
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0362 0.0362
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0437 0.4513
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0437 0.0437
Trypanosoma brucei protein kinase, putative 0.0052 0.0437 0.4513
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0251 0.0251
Schistosoma mansoni alpha glucosidase 0.0037 0.0251 0.0251
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0251 0.2413

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 16.938 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 23.7558 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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