Detailed information for compound 1425194

Basic information

Technical information
  • TDR Targets ID: 1425194
  • Name: N-(3-methylbutyl)-2-[2-(1-methylindol-3-yl)-5 -oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl ]acetamide
  • MW: 393.482 | Formula: C22H27N5O2
  • H donors: 1 H acceptors: 3 LogP: 2.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)CN1C(=O)CCn2c1cc(n2)c1cn(c2c1cccc2)C)C
  • InChi: 1S/C22H27N5O2/c1-15(2)8-10-23-20(28)14-26-21-12-18(24-27(21)11-9-22(26)29)17-13-25(3)19-7-5-4-6-16(17)19/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,23,28)
  • InChiKey: BQULFKWQZRISBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopentyl-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-isopentyl-2-[2-(1-methyl-3-indolyl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-isoamyl-2-[5-keto-2-(1-methylindol-3-yl)-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]acetamide
  • N-(3-methylbutyl)-2-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[5,1-b]pyrimidin-4-yl]ethanamide
  • G581-0122
  • NCGC00132152-01

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 Ribosomal protein L34a 0.0064 0.0111 0.0419
Echinococcus granulosus apoptotic protease activating factor 1 0.0096 0.0288 0.1081
Onchocerca volvulus 0.019 0.0815 0.0815
Toxoplasma gondii hypothetical protein 0.0138 0.0526 0.26
Trichomonas vaginalis CAMK family protein kinase 0.0197 0.085 0.4291
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0397 0.1968 0.1968
Echinococcus granulosus GPCR family 2 0.0294 0.1395 0.5242
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.0566 0.2106
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0146 0.0566 0.2128
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0146 0.0566 0.2106
Trichomonas vaginalis glutaminase, putative 0.0273 0.1277 0.6469
Echinococcus granulosus caspase 2 0.0096 0.0288 0.1081
Schistosoma mansoni beta-14-galactosyltransferase 0.0087 0.0239 0.0723
Brugia malayi RNA recognition motif domain containing protein 0.0521 0.2661 0.2661
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0294 0.1395 0.5242
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0293 0.1389 0.522
Onchocerca volvulus 0.0485 0.2459 0.2459
Schistosoma mansoni caspase-7 (C14 family) 0.0096 0.0288 0.0873
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.019 0.0815 0.3064
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.0566 0.2106
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.019 0.0815 0.2472
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0263 0.1222 0.4744
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 0.5
Loa Loa (eye worm) galactosyltransferase 0.0087 0.0239 0.0239
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.019 0.0815 0.3064
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0146 0.0566 0.2803
Loa Loa (eye worm) TAR-binding protein 0.0521 0.2661 0.2661
Loa Loa (eye worm) hypothetical protein 0.0402 0.1993 0.1993
Brugia malayi hypothetical protein 0.0051 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.1838 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.0602 0.2263
Loa Loa (eye worm) hypothetical protein 0.019 0.0815 0.0815
Brugia malayi hypothetical protein 0.0079 0.0192 0.0192
Echinococcus multilocularis tar DNA binding protein 0.0521 0.2661 1
Loa Loa (eye worm) pip kinase 2 0.019 0.0815 0.0815
Mycobacterium tuberculosis Conserved hypothetical protein 0.0212 0.0938 0.5665
Echinococcus multilocularis mothers against decapentaplegic 5 0.0098 0.0304 0.1141
Toxoplasma gondii isocitrate dehydrogenase 0.0146 0.0566 0.2803
Entamoeba histolytica hypothetical protein 0.0489 0.2483 0.2649
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 0.5
Onchocerca volvulus 0.0096 0.0288 0.0288
Schistosoma mansoni Smad4 0.0098 0.0304 0.0921
Loa Loa (eye worm) hypothetical protein 0.0293 0.1389 0.1389
Trichomonas vaginalis CAMK family protein kinase 0.0197 0.085 0.4291
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0293 0.1389 0.522
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0489 0.2483 0.2649
Brugia malayi Smad1 0.0098 0.0304 0.0304
Brugia malayi MH2 domain containing protein 0.0098 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0079 0.0192 0.0192
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.0192 0.0917
Schistosoma mansoni smad1 5 8 and 0.0098 0.0304 0.0921
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0263 0.1222 1
Echinococcus multilocularis Metazoa galactosyltransferase 0.0073 0.0164 0.0615
Schistosoma mansoni hypothetical protein 0.0294 0.1395 0.4229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0521 0.2661 0.2661
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.093 0.4938 0.4938
Schistosoma mansoni smad 0.0098 0.0304 0.0921
Schistosoma mansoni tar DNA-binding protein 0.0521 0.2661 0.8068
Echinococcus granulosus Ribosomal protein L34a 0.0064 0.0111 0.0419
Brugia malayi RNA binding protein 0.0521 0.2661 0.2661
Echinococcus multilocularis inhibitor of apoptosis protein 0.0293 0.1389 0.522
Brugia malayi MH2 domain containing protein 0.1446 0.7813 0.7813
Schistosoma mansoni hypothetical protein 0.0294 0.1395 0.4229
Toxoplasma gondii isocitrate dehydrogenase 0.0146 0.0566 0.2803
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0192 0.0917
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0397 0.1968 0.2098
Loa Loa (eye worm) nuclear factor I 0.0054 0.0058 0.0058
Echinococcus granulosus mothers against decapentaplegic 5 0.0098 0.0304 0.1141
Brugia malayi latrophilin 2 splice variant baaae 0.0636 0.3298 0.3298
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.0192 0.0917
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0098 0.0304 0.0921
Brugia malayi Cell death protein 3 precursor 0.0096 0.0288 0.0288
Brugia malayi N-terminal motif family protein 0.0584 0.3007 0.3007
Loa Loa (eye worm) hypothetical protein 0.0096 0.0288 0.0288
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0098 0.0304 0.1141
Schistosoma mansoni beta-14-galactosyltransferase 0.0087 0.0239 0.0723
Schistosoma mansoni peptidase Clp (S14 family) 0.0402 0.1993 0.6044
Echinococcus multilocularis Smad4 0.0098 0.0304 0.1141
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0096 0.0288 0.1081
Loa Loa (eye worm) Smad1 0.0098 0.0304 0.0304
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0397 0.1968 0.7397
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0146 0.0566 0.2803
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.172 0.9343 1
Brugia malayi hypothetical protein 0.0096 0.0288 0.0288
Loa Loa (eye worm) hypothetical protein 0.0293 0.1389 0.1389
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0263 0.1222 1
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Echinococcus multilocularis GPCR, family 2 0.0294 0.1395 0.5242
Echinococcus granulosus FTZ F1 alpha 0.0406 0.2017 0.7582
Brugia malayi TAR-binding protein 0.0521 0.2661 0.2661
Loa Loa (eye worm) MH2 domain-containing protein 0.1446 0.7813 0.7813
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0402 0.1993 1
Loa Loa (eye worm) hypothetical protein 0.0636 0.3298 0.3298
Loa Loa (eye worm) hypothetical protein 0.0054 0.0058 0.0058
Loa Loa (eye worm) pax transcription factor protein 2 0.0485 0.2459 0.2459
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.0602 0.2263
Echinococcus granulosus TGF beta signal transducer SmadC 0.0098 0.0304 0.1141
Schistosoma mansoni kinase 0.0202 0.088 0.2667
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0046 0.001 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0521 0.2661 0.8068
Loa Loa (eye worm) isocitrate dehydrogenase 0.0146 0.0566 0.0566
Echinococcus multilocularis thyroid hormone receptor alpha 0.0174 0.0726 0.2729
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0138 0.0526 0.26
Brugia malayi Isocitrate dehydrogenase 0.0146 0.0566 0.0566
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.0566 0.2128
Trypanosoma brucei polo-like protein kinase 0.0397 0.1968 1
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Brugia malayi Latrophilin receptor protein 2 0.0294 0.1395 0.1395
Loa Loa (eye worm) latrophilin receptor protein 2 0.0294 0.1395 0.1395
Echinococcus multilocularis sentrin specific protease 1 0.0046 0.001 0.0039
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0402 0.1993 0.7492
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0293 0.1389 0.1389
Loa Loa (eye worm) hypothetical protein 0.093 0.4938 0.4938
Brugia malayi MH2 domain containing protein 0.0098 0.0304 0.0304
Schistosoma mansoni hypothetical protein 0.0152 0.0602 0.1825
Echinococcus granulosus smad 0.0098 0.0304 0.1141
Schistosoma mansoni tar DNA-binding protein 0.0521 0.2661 0.8068
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.0566 0.2128
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0192 0.0917
Echinococcus multilocularis Metazoa galactosyltransferase 0.0087 0.0239 0.0897
Schistosoma mansoni inhibitor of apoptosis protein 0.0293 0.1389 0.4211
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0402 0.1993 1
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.1277 0.1277
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0294 0.1395 0.1395
Schistosoma mansoni hypothetical protein 0.0294 0.1395 0.4229
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 1
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.093 0.4938 0.4938
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0402 0.1993 1
Giardia lamblia DNA repair protein RAD52 0.172 0.9343 1
Onchocerca volvulus 0.0293 0.1389 0.1389
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0293 0.1389 0.4211
Brugia malayi Pax transcription factor protein 2 0.0485 0.2459 0.2459
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0146 0.0566 0.2128
Brugia malayi isocitrate dehydrogenase 0.0146 0.0566 0.0566
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0294 0.1395 0.5242
Brugia malayi MH1 domain containing protein 0.0054 0.0058 0.0058
Trypanosoma cruzi polo-like protein kinase, putative 0.0397 0.1968 1
Schistosoma mansoni serine/threonine protein kinase 0.0397 0.1968 0.5968
Onchocerca volvulus Cell death protein 3 homolog 0.0096 0.0288 0.0288
Brugia malayi MH1 domain containing protein 0.0098 0.0304 0.0304
Loa Loa (eye worm) glutaminase 0.0273 0.1277 0.1277
Onchocerca volvulus Deterin homolog 0.0293 0.1389 0.1389
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0146 0.0566 0.1717
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0146 0.0566 0.2128
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0294 0.1395 0.5242
Brugia malayi glutaminase DH11.1 0.0273 0.1277 0.1277
Schistosoma mansoni hypothetical protein 0.0096 0.0288 0.0873
Schistosoma mansoni thyroid hormone receptor 0.0174 0.0726 0.2202
Echinococcus multilocularis peptidase Clp (S14 family) 0.0263 0.1222 0.4593
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0397 0.1968 0.1968
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0293 0.1389 0.1389
Echinococcus multilocularis caspase 2 0.0096 0.0288 0.1081
Brugia malayi Pip kinase protein 2 0.019 0.0815 0.0815
Echinococcus granulosus Smad4 0.0098 0.0304 0.1141
Schistosoma mansoni glutaminase 0.0273 0.1277 0.3872
Loa Loa (eye worm) hypothetical protein 0.0584 0.3007 0.3007
Loa Loa (eye worm) hypothetical protein 0.0096 0.0288 0.0288
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0146 0.0566 0.2106
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0138 0.0526 0.26
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0397 0.1968 0.7397
Brugia malayi Galactosyltransferase family protein 0.0087 0.0239 0.0239
Echinococcus multilocularis isocitrate dehydrogenase 0.0146 0.0566 0.2128
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0046 0.001 0.001
Schistosoma mansoni hypothetical protein 0.0293 0.1389 0.4211
Loa Loa (eye worm) hypothetical protein 0.0294 0.1395 0.1395
Brugia malayi MH1 domain containing protein 0.0098 0.0304 0.0304
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0584 0.3007 0.3007
Schistosoma mansoni tar DNA-binding protein 0.0521 0.2661 0.8068
Loa Loa (eye worm) transcription factor SMAD2 0.1446 0.7813 0.7813
Trichomonas vaginalis CAMK family protein kinase 0.0397 0.1968 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0402 0.1993 0.7492
Echinococcus granulosus inhibitor of apoptosis protein 0.0293 0.1389 0.522
Loa Loa (eye worm) hypothetical protein 0.0046 0.001 0.001
Schistosoma mansoni smad1 5 8 and 0.0098 0.0304 0.0921
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.0304 0.0304
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0397 0.1968 1
Onchocerca volvulus 0.1838 1 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0046 0.001 0.0032
Brugia malayi MH1 domain containing protein 0.0054 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0636 0.3298 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0146 0.0566 0.2106
Schistosoma mansoni smad1 5 8 and 0.0098 0.0304 0.0921
Loa Loa (eye worm) RNA binding protein 0.0521 0.2661 0.2661
Schistosoma mansoni hypothetical protein 0.0294 0.1395 0.4229
Schistosoma mansoni thyroid hormone receptor 0.0174 0.0726 0.2202
Echinococcus granulosus peptidase Clp S14 family 0.0263 0.1222 0.4593
Echinococcus granulosus Metazoa galactosyltransferase 0.0087 0.0239 0.0897
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0294 0.1395 0.5242
Loa Loa (eye worm) pigment dispersing factor receptor c 0.093 0.4938 0.4938
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0402 0.1993 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0397 0.1968 0.1968
Trypanosoma cruzi polo-like protein kinase, putative 0.0397 0.1968 1
Schistosoma mansoni tar DNA-binding protein 0.0521 0.2661 0.8068
Echinococcus granulosus tar DNA binding protein 0.0521 0.2661 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0098 0.0304 0.0304
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.019 0.0815 0.2472
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0402 0.1993 1
Echinococcus granulosus sentrin specific protease 1 0.0046 0.001 0.0039
Echinococcus multilocularis smad 0.0098 0.0304 0.1141
Brugia malayi Probable ClpP-like protease 0.0402 0.1993 0.1993

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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