Detailed information for compound 511842

Basic information

Technical information
  • TDR Targets ID: 511842
  • Name: 2-(2-methylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl )phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin- 3-one
  • MW: 425.486 | Formula: C24H23N7O
  • H donors: 1 H acceptors: 5 LogP: 4.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1c(=O)c2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)nccc2)C
  • InChi: 1S/C24H23N7O/c1-16(2)14-31-24(32)21-8-5-13-25-23(21)30(31)15-17-9-11-18(12-10-17)19-6-3-4-7-20(19)22-26-28-29-27-22/h3-13,16H,14-15H2,1-2H3,(H,26,27,28,29)
  • InChiKey: JKWVJTQZCHOGJJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-isobutyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
  • 2-isobutyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolo[3,4-b]pyridinone
  • 2-(2-methylpropyl)-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
  • 2-isobutyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]pyrazolo[3,4-b]pyridin-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Type-1A angiotensin II receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Type-1A angiotensin II receptor   359 aa 330 aa 26.7 %
Echinococcus granulosus allatostatin A receptor Type-1A angiotensin II receptor   359 aa 348 aa 25.9 %
Echinococcus multilocularis neuropeptide receptor Type-1A angiotensin II receptor   359 aa 316 aa 25.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Type-1A angiotensin II receptor   359 aa 311 aa 23.5 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 395 aa 23.0 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Type-1A angiotensin II receptor   359 aa 351 aa 21.9 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 294 aa 23.8 %
Brugia malayi putative neuropeptide receptor NPR1 Type-1A angiotensin II receptor   359 aa 295 aa 27.5 %
Schistosoma mansoni opsin-like receptor Type-1A angiotensin II receptor   359 aa 299 aa 25.1 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 386 aa 24.9 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Type-1A angiotensin II receptor   359 aa 406 aa 20.0 %
Schistosoma mansoni adenoreceptor Type-1A angiotensin II receptor   359 aa 329 aa 24.0 %
Echinococcus granulosus neuropeptide receptor Type-1A angiotensin II receptor   359 aa 316 aa 25.0 %
Schistosoma mansoni peptide (allatostatin)-like receptor Type-1A angiotensin II receptor   359 aa 314 aa 26.1 %
Echinococcus multilocularis G-protein coupled receptor, putative Type-1A angiotensin II receptor   359 aa 308 aa 22.4 %
Brugia malayi GnHR receptor homolog Type-1A angiotensin II receptor   359 aa 364 aa 20.9 %
Brugia malayi ORL1-like opioid receptor Type-1A angiotensin II receptor   359 aa 314 aa 20.1 %
Schistosoma japonicum Rhodopsin, putative Type-1A angiotensin II receptor   359 aa 327 aa 24.2 %
Echinococcus granulosus tm gpcr rhodopsin Type-1A angiotensin II receptor   359 aa 303 aa 22.4 %
Echinococcus multilocularis allatostatin A receptor Type-1A angiotensin II receptor   359 aa 348 aa 25.9 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Type-1A angiotensin II receptor   359 aa 303 aa 22.4 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Type-1A angiotensin II receptor   359 aa 336 aa 22.3 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 303 aa 25.1 %
Echinococcus multilocularis growth hormone secretagogue receptor type 1 Type-1A angiotensin II receptor   359 aa 351 aa 21.9 %
Loa Loa (eye worm) neuropeptide F receptor Type-1A angiotensin II receptor   359 aa 356 aa 24.2 %
Echinococcus granulosus thyrotropin releasing hormone receptor Type-1A angiotensin II receptor   359 aa 337 aa 24.0 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Type-1A angiotensin II receptor   359 aa 352 aa 20.5 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 312 aa 19.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Type-1A angiotensin II receptor   359 aa 334 aa 23.7 %
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Type-1A angiotensin II receptor   359 aa 407 aa 19.4 %
Onchocerca volvulus Type-1A angiotensin II receptor   359 aa 314 aa 25.8 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Type-1A angiotensin II receptor   359 aa 346 aa 18.2 %
Loa Loa (eye worm) hypothetical protein Type-1A angiotensin II receptor   359 aa 335 aa 23.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0135 0.0143
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0049 0.1024 0.1024
Loa Loa (eye worm) animal heme peroxidase 0.0029 0.0388 0.0509
Trypanosoma brucei N-myristoyltransferase 0.0189 0.5417 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1709 0.2981
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0161 0.4547 0.6503
Onchocerca volvulus Dual oxidase homolog 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.0047 0.0968 0.1344
Trichomonas vaginalis N-myristoyl transferase, putative 0.0124 0.3381 0.5938
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0035 0.0035
Loa Loa (eye worm) animal heme peroxidase 0.0029 0.0388 0.0509
Brugia malayi Animal haem peroxidase family protein 0.0029 0.0388 0.0509
Leishmania major carnitine/choline acetyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0049 0.1024 0.1684
Schistosoma mansoni CREB-binding protein 2 0.0101 0.2648 0.4855
Loa Loa (eye worm) hypothetical protein 0.0049 0.1033 0.1437
Brugia malayi hypothetical protein 0.0029 0.0388 0.0509
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0035 0.0035
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0035 0.0035
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0771 0.0771
Onchocerca volvulus Peroxidase homolog 0.0029 0.0388 0.0509
Onchocerca volvulus 0.0049 0.1024 0.1425
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0189 0.5417 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.003 0.041 0.0009
Trichomonas vaginalis MYB, putative 0.003 0.041 0.0009
Leishmania major N-myristoyl transferase, putative 0.0189 0.5417 1
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0135 0.0143
Loa Loa (eye worm) CBP-B 0.007 0.168 0.2371
Onchocerca volvulus 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Onchocerca volvulus 0.0049 0.1024 0.1425
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0161 0.4547 0.8353
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0035 0.0035
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1709 0.311
Echinococcus granulosus CREB binding protein 0.0062 0.1434 0.1434
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0049 0.1024 0.1425
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1033 0.1437
Onchocerca volvulus 0.0029 0.0388 0.0509
Schistosoma mansoni peroxidasin 0.0029 0.0388 0.0656
Trypanosoma cruzi N-myristoyl transferase, putative 0.0189 0.5417 1
Schistosoma mansoni hypothetical protein 0.0034 0.0542 0.094
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0101 0.2648 0.4855
Onchocerca volvulus Peroxidase homolog 0.0029 0.0388 0.0509
Brugia malayi Animal haem peroxidase family protein 0.0029 0.0388 0.0509
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0035 0.0035
Onchocerca volvulus Peroxidasin homolog 0.0029 0.0388 0.0509
Brugia malayi Animal haem peroxidase family protein 0.0029 0.0388 0.0509
Brugia malayi N-myristoyltransferase 2 0.0189 0.5417 0.7757
Brugia malayi TAZ zinc finger family protein 0.0101 0.2648 0.3766
Brugia malayi Cytochrome P450 family protein 0.0021 0.0135 0.0143
Onchocerca volvulus 0.0029 0.0388 0.0509
Echinococcus granulosus peroxidasin 0.0029 0.0388 0.0388
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0161 0.4547 0.6503
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.102 0.183
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0135 0.0143
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0035 0.0035
Onchocerca volvulus 0.0049 0.1024 0.1425
Echinococcus multilocularis CREB binding protein 0.0069 0.1653 0.1653
Brugia malayi Cytochrome P450 family protein 0.0021 0.0135 0.0143
Onchocerca volvulus Chorion peroxidase homolog 0.0029 0.0388 0.0509
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1033 0.1437
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.1024 0.1684
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0135 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0161 0.4547 0.8353
Brugia malayi Peroxidasin 0.0029 0.0388 0.0509
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0483 0.0646
Echinococcus granulosus choline O acetyltransferase 0.0185 0.531 0.531
Loa Loa (eye worm) hypothetical protein 0.0034 0.0542 0.073
Trichomonas vaginalis N-myristoyl transferase, putative 0.0189 0.5417 1
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0771 0.0771
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0189 0.5417 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0049 0.1024 0.1425
Onchocerca volvulus 0.0049 0.1024 0.1425
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0049 0.1024 0.1684
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) pax transcription factor protein 2 0.0238 0.6973 1
Onchocerca volvulus 0.0238 0.6973 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0189 0.5417 0.5417
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0035 0.0035
Trypanosoma cruzi N-myristoyl transferase, putative 0.0189 0.5417 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.003 0.041 0.0009
Loa Loa (eye worm) animal heme peroxidase 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0035 0.0035
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0189 0.5417 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0049 0.1024 0.1024
Schistosoma mansoni N-myristoyltransferase 0.0189 0.5417 1
Onchocerca volvulus 0.015 0.4185 0.5981
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1709 0.2413
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0049 0.1024 0.1684
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.003 0.0409 0.5
Schistosoma mansoni choline o-acyltransferase 0.0049 0.1024 0.1837
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0161 0.4547 0.8353
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.1024 0.1684
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0035 0.0035
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1709 0.2413
Brugia malayi hypothetical protein 0.015 0.4185 0.5981
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) hypothetical protein 0.0185 0.531 0.7603
Brugia malayi Pax transcription factor protein 2 0.0238 0.6973 1
Echinococcus multilocularis choline O acetyltransferase 0.0185 0.531 0.531
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0035 0.0035
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0049 0.1024 0.1425
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Onchocerca volvulus 0.0049 0.102 0.142
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1709 0.2981
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0189 0.5417 0.5417
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0161 0.4547 0.4547
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Trypanosoma brucei N-myristoyl transferase, putative 0.0189 0.5417 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0035 0.0035
Brugia malayi Choline O-acetyltransferase 0.0185 0.531 0.7603
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0035 0.0035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0035 0.0035
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1709 0.2981
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0542 0.073
Brugia malayi Animal haem peroxidase family protein 0.0029 0.0388 0.0509
Brugia malayi Blistered cuticle protein 3 0.0029 0.0388 0.0509
Giardia lamblia CDC72 0.0189 0.5417 1
Schistosoma mansoni peroxidasin 0.0029 0.0388 0.0656
Loa Loa (eye worm) animal heme peroxidase 0.0029 0.0388 0.0509
Loa Loa (eye worm) blistered cuticle protein 3 0.0029 0.0388 0.0509
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0035 0.0035
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.0049 0.102 0.142
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.1024 0.1684
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0049 0.1024 0.1684
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0049 0.1024 0.1684
Loa Loa (eye worm) N-myristoyltransferase 2 0.0189 0.5417 0.7757
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0035 0.0035
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1709 0.2981
Loa Loa (eye worm) choline O-acetyltransferase 0.0185 0.531 0.7603
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1709 0.1709
Leishmania major carnitine palmitoyltransferase-like protein 0.0049 0.1024 0.1684
Echinococcus multilocularis tumor protein p63 0.0334 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0035 0.0035
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.1024 0.1684
Brugia malayi Choline O-acetyltransferase 0.0185 0.531 0.7603
Schistosoma mansoni choline o-acyltransferase 0.0185 0.531 0.9801
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1709 0.1709
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0049 0.1024 0.1684
Echinococcus granulosus CREB binding protein 0.0101 0.2648 0.2648
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1033 0.1437
Echinococcus multilocularis peroxidasin 0.0029 0.0388 0.0388
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0161 0.4547 0.4547
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1709 0.2602
Trypanosoma brucei hypothetical protein, conserved 0.0049 0.1024 0.1684
Brugia malayi Cytochrome P450 family protein 0.0032 0.0483 0.0646
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0049 0.1024 0.1425
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.1024 0.1684
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0509
Brugia malayi Animal haem peroxidase family protein 0.0029 0.0388 0.0509
Onchocerca volvulus Peroxidasin homolog 0.0029 0.0388 0.0509
Loa Loa (eye worm) hypothetical protein 0.015 0.4185 0.5981

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2300 nM Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane ChEMBL. 18318468
IC50 (binding) = 2300 nM Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane ChEMBL. 18318468

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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