Detailed information for compound 1515531

Basic information

Technical information
  • TDR Targets ID: 1515531
  • Name: 2-[5-[5-(2-pyridyl)-1H-pyrazol-3-yl]-2H-pyraz ol-3-yl]pyridine
  • MW: 288.307 | Formula: C16H12N6
  • H donors: 2 H acceptors: 4 LogP: 1.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(nc1)c1[nH]nc(c1)c1n[nH]c(c1)c1ccccn1
  • InChi: 1S/C16H12N6/c1-3-7-17-11(5-1)13-9-15(21-19-13)16-10-14(20-22-16)12-6-2-4-8-18-12/h1-10H,(H,19,21)(H,20,22)
  • InChiKey: LBEJULDBPRDNNA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • NCGC00014847
  • NSC-371706
  • NCI371706
  • NCIStruc1_000664
  • NCI60_003429
  • 2-[5-(5-pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine
  • NSC371706
  • NCIStruc2_000750

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
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.1643 0.258
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.0733 0.1131
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0031
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0146 0.0645 0.0625
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0035 0.0013
Brugia malayi Thioredoxin reductase 0.0038 0.0107 0.0085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.0645 0.0625
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 0.1643 0.258
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.175 0.8683 0.868
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0086 0.0064
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0035 0.0021
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0107 0.0102
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0022 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0035 0.0031
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0035 0.0031
Brugia malayi glutathione reductase 0.0038 0.0107 0.0085
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0416 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.0645 0.0625
Schistosoma mansoni hypothetical protein 0.0034 0.0086 0.0064
Mycobacterium ulcerans hypothetical protein 0.0182 0.0825 0.0821
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.011 0.0088
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0211 0.03
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.013 0.0979
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0088 0.0354 0.032
Toxoplasma gondii hypothetical protein 0.0056 0.0193 0.0272
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0304 0.0282
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0035 0.0031
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0035 0.0013
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0031
Loa Loa (eye worm) hypothetical protein 0.0034 0.0086 0.0081
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0005 0.0005
Trypanosoma brucei trypanothione reductase 0.0038 0.0107 0.0135
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0035 0.0035
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0022 0.0017
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0035 0.0332
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0733 0.1131
Echinococcus multilocularis protein dispatched 1 0.0049 0.016 0.0138
Entamoeba histolytica hypothetical protein 0.0078 0.0304 0.715
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0158 0.0216
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0035 0.0332
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0088 0.0354 0.0354
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0166 0.0144
Leishmania major trypanothione reductase 0.0038 0.0107 0.0135
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.0645 0.0625
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.1643 0.258
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1275 0.6304 1
Mycobacterium ulcerans thymidylate synthase 0.0505 0.2448 0.2444
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0146 0.0645 0.0625
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0035 0.0031
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.0631 0.061
Entamoeba histolytica hypothetical protein 0.0078 0.0304 0.715
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0035 0.0332
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1275 0.6304 1
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0304 0.0282
Echinococcus granulosus Protein patched homolog 1 0.0043 0.013 0.0108
Toxoplasma gondii thioredoxin reductase 0.0038 0.0107 0.0135
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0088 0.0354 0.0354
Echinococcus granulosus thymidylate synthase 0.0505 0.2448 0.2431
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.0631 0.061
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.0403 0.0403
Echinococcus multilocularis expressed conserved protein 0.0094 0.0386 0.0364
Loa Loa (eye worm) hypothetical protein 0.0053 0.0178 0.0173
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1275 0.6304 1
Brugia malayi CHE-14 protein 0.0043 0.013 0.0108
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0022 0.0028
Echinococcus multilocularis thymidylate synthase 0.0505 0.2448 0.2431
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.0825 0.0825
Loa Loa (eye worm) thymidylate synthase 0.0505 0.2448 0.2444
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0107 0.0135
Onchocerca volvulus 0.005 0.0167 0.0543
Trichomonas vaginalis conserved hypothetical protein 0.024 0.112 1
Mycobacterium tuberculosis Hypothetical protein 0.024 0.112 0.112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.0645 0.0625
Schistosoma mansoni hypothetical protein 0.0041 0.0122 0.01
Schistosoma mansoni patched 1 0.0043 0.013 0.0108
Loa Loa (eye worm) glutathione reductase 0.0038 0.0107 0.0102
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.013 0.0108
Entamoeba histolytica hypothetical protein 0.0078 0.0304 0.715
Plasmodium falciparum thioredoxin reductase 0.0038 0.0107 0.0163
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0166 0.0144
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0107 0.0163
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0031
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0022 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0107 0.0107
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0035 0.0021
Mycobacterium tuberculosis Probable dehydrogenase 0.0088 0.0354 0.0354
Echinococcus granulosus expressed conserved protein 0.0094 0.0386 0.0364
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0158 0.0216
Plasmodium vivax glutathione reductase, putative 0.0038 0.0107 0.0163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0146 0.0645 0.0625
Schistosoma mansoni hypothetical protein 0.0041 0.0122 0.01
Loa Loa (eye worm) hypothetical protein 0.005 0.0167 0.0162
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0146 0.0645 0.0641
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0022 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0035 0.0013
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.013 0.0108
Onchocerca volvulus 0.0505 0.2448 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1275 0.6304 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0416 0.0411
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.0424 0.0402
Entamoeba histolytica hypothetical protein 0.0078 0.0304 0.715
Schistosoma mansoni hypothetical protein 0.0041 0.0122 0.01
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0304 0.0282
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0416 0.0394
Schistosoma mansoni hypothetical protein 0.0041 0.0122 0.01
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0166 0.0161
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0158 0.0216
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0022 0.0022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.0403 0.0369
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0035 0.0021
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.0733 0.1131
Echinococcus multilocularis protein patched 0.0043 0.013 0.0108
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0505 0.2448 0.2448
Loa Loa (eye worm) hypothetical protein 0.0024 0.0035 0.0031
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0416 0.0394
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.0403 0.0403
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.024 0.112 0.1747
Brugia malayi hypothetical protein 0.024 0.112 0.11
Loa Loa (eye worm) hypothetical protein 0.005 0.0166 0.0161
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0505 0.2448 0.2431
Schistosoma mansoni hypothetical protein 0.0078 0.0304 0.0282
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0146 0.0645 0.0625
Mycobacterium tuberculosis Probable reductase 0.0088 0.0354 0.0354
Brugia malayi thymidylate synthase 0.0505 0.2448 0.2431
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0035 0.0031
Plasmodium falciparum glutathione reductase 0.0038 0.0107 0.0163
Echinococcus granulosus tumor protein p63 0.0343 0.1635 0.1616
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0158 0.0216
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0035 0.0035
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0043 0.013 0.0125
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1275 0.6304 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0088 0.0354 0.0354
Echinococcus multilocularis tumor protein p63 0.0343 0.1635 0.1616
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1275 0.6304 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0088 0.0354 0.0354
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0167 0.0144
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.013 0.0125
Leishmania major mitochondrial DNA polymerase beta 0.0345 0.1643 0.258
Mycobacterium ulcerans hypothetical protein 0.0024 0.0035 0.0031
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.011 0.0088
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0505 0.2448 0.2421
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0022 0.0017
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0416 0.0394
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0022 0.0028
Brugia malayi hypothetical protein 0.0078 0.0304 0.0282

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
GI50 (functional) -4.645 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.559 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.112 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.109 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.074 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.02 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.019 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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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