Detailed information for compound 1390276

Basic information

Technical information
  • TDR Targets ID: 1390276
  • Name: N-(4-methylcyclohexyl)-1-[(1-propanoyl-3,4-di hydro-2H-quinolin-6-yl)sulfonyl]piperidine-4- carboxamide
  • MW: 475.644 | Formula: C25H37N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)N1CCCc2c1ccc(c2)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCC(CC1)C
  • InChi: 1S/C25H37N3O4S/c1-3-24(29)28-14-4-5-20-17-22(10-11-23(20)28)33(31,32)27-15-12-19(13-16-27)25(30)26-21-8-6-18(2)7-9-21/h10-11,17-19,21H,3-9,12-16H2,1-2H3,(H,26,30)
  • InChiKey: SDNPDXMAMVTGBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methylcyclohexyl)-1-[[1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-4-piperidinecarboxamide
  • N-(4-methylcyclohexyl)-1-[(1-propionyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]isonipecotamide
  • G855-1791
  • NCGC00135392-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni intermediate filament proteins 0.0029 0.0127 0.0127
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1562 0.1562
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0127 0.0087
Loa Loa (eye worm) hypothetical protein 0.004 0.029 0.0383
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0271 0.3726 0.3709
Echinococcus multilocularis tumor protein p63 0.034 0.4745 0.473
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0028 0.0028
Echinococcus granulosus Niemann Pick C1 protein 0.0112 0.1359 0.1335
Brugia malayi intermediate filament protein 0.0029 0.0127 0.0087
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0077 0.0847 0.0822
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1562 0.1999
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0242 0.0241
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0787 0.0787
Brugia malayi uridine phosphorylase family protein 0.0025 0.008 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1057 0.1032
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0608 0.0583
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1057 0.1032
Loa Loa (eye worm) hypothetical protein 0.053 0.7566 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0077 0.0847 0.0847
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0025 0.008 0.0025
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0787 0.0762
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0271 0.3726 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0112 0.0067
Loa Loa (eye worm) hypothetical protein 0.0104 0.1238 0.1637
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0077 0.0847 0.0822
Echinococcus multilocularis microtubule associated protein 2 0.0694 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1057 0.1057
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0529 0.2563
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0077 0.0847 0.1047
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0056 0.0529 0.2563
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0077 0.0847 0.0822
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0056 0.0529 0.0503
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0529 0.2563
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0564 0.0537
Onchocerca volvulus 0.0056 0.0529 0.2473
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0077 0.0847 0.1047
Schistosoma mansoni hypothetical protein 0.0256 0.3499 0.3499
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0608 0.0608
Schistosoma mansoni thyroid hormone receptor 0.0333 0.4644 0.4644
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0112 0.0085
Brugia malayi nuclear receptor NHR-88 0.0077 0.0847 0.1047
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0655 0.0629
Loa Loa (eye worm) steroid hormone receptor 0.0077 0.0847 0.112
Echinococcus granulosus ecdysone induced protein 78C 0.0077 0.0847 0.0822
Schistosoma mansoni uridine phosphorylase 0.0025 0.008 0.008
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0121 0.15 0.1982
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0655 0.0629
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0529 0.2563
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0271 0.3726 0.3726
Schistosoma mansoni lamin 0.0029 0.0127 0.0127
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Echinococcus granulosus tumor protein p63 0.034 0.4745 0.473
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0036 0.0242 0.0215
Onchocerca volvulus 0.0056 0.0529 0.2473
Onchocerca volvulus 0.0056 0.0529 0.2473
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0307 0.0406
Echinococcus granulosus uridine phosphorylase 1 0.0025 0.008 0.0053
Echinococcus granulosus intermediate filament protein 0.0029 0.0127 0.0099
Loa Loa (eye worm) uridine phosphorylase 0.0025 0.008 0.0106
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0413 0.0387
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Echinococcus multilocularis ecdysone induced protein 78C 0.0077 0.0847 0.0822
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1562 0.1539
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0077 0.0847 0.4223
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0036 0.0242 0.0215
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0036 0.0242 0.0242
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0112 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0077 0.0847 0.112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0077 0.0847 0.112
Loa Loa (eye worm) hypothetical protein 0.0028 0.0112 0.0148
Schistosoma mansoni hypothetical protein 0.0048 0.0413 0.0413
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Onchocerca volvulus 0.0077 0.0847 0.4223
Loa Loa (eye worm) hypothetical protein 0.0069 0.0723 0.0955
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0254 0.0227
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0025 0.008 0.0106
Brugia malayi nuclear hormone receptor family member odr-7 0.0036 0.0242 0.0241
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0608 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0041 0.0307 0.028
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0077 0.0847 0.1047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1057 0.1057
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.1949 0.2515
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0077 0.0847 0.0847
Entamoeba histolytica rodhanase-like domain containing protein 0.0056 0.0529 0.2563
Entamoeba histolytica hypothetical protein 0.0073 0.0787 0.4035
Schistosoma mansoni hypothetical protein 0.0341 0.476 0.476
Toxoplasma gondii Purine nucleoside phosphorylase 0.0144 0.1833 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0036 0.0242 0.0215
Schistosoma mansoni cellular tumor antigen P53 0.005 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Echinococcus granulosus lamin 0.0029 0.0127 0.0099
Brugia malayi ecdysone receptor 0.0036 0.0242 0.0241
Echinococcus granulosus Protein patched homolog 1 0.0112 0.1359 0.1335
Loa Loa (eye worm) hypothetical protein 0.005 0.044 0.0582
Brugia malayi ecdysteroid receptor 0.0077 0.0847 0.1047
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0077 0.0847 0.112
Schistosoma mansoni methylthioadenosine phosphorylase 0.0025 0.008 0.008
Echinococcus multilocularis musashi 0.0029 0.0127 0.0099
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.1238 0.1568
Loa Loa (eye worm) hypothetical protein 0.0056 0.0529 0.07
Trichomonas vaginalis cdc25b, putative 0.0056 0.0529 0.2563
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0655 0.1576
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0144 0.1833 1
Schistosoma mansoni hypothetical protein 0.0048 0.0413 0.0413
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0529 0.2563
Echinococcus granulosus lamin dm0 0.0029 0.0127 0.0099
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.0529 0.0623
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Echinococcus granulosus sterol regulatory element binding protein 0.0112 0.1359 0.1335
Plasmodium falciparum purine nucleoside phosphorylase 0.0144 0.1833 1
Schistosoma mansoni coup transcription factor 0.0077 0.0847 0.0847
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.159 0.8614
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0256 0.3499 0.3481
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0121 0.15 0.15
Schistosoma mansoni steroid hormone receptor ad4bp 0.0077 0.0847 0.0847
Schistosoma mansoni retinoic acid receptor RXR 0.0077 0.0847 0.0847
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0307 0.0307
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0256 0.3499 0.3481
Loa Loa (eye worm) hypothetical protein 0.0041 0.0307 0.0406
Brugia malayi steroid hormone receptor 0.0077 0.0847 0.1047
Schistosoma mansoni patched 1 0.0112 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0271 0.3726 0.4925
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1057 0.1032
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0077 0.0847 0.0822
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0077 0.0847 0.0822
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0307 0.0327
Mycobacterium leprae probable uridine phosphorylase 0.0025 0.008 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0077 0.0847 0.0847
Schistosoma mansoni methylthioadenosine phosphorylase 0.0025 0.008 0.008
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0655 0.0865
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0077 0.0847 0.1047
Onchocerca volvulus 0.0029 0.0127 0.0256
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1562 0.2064
Loa Loa (eye worm) hypothetical protein 0.0028 0.0112 0.0148
Schistosoma mansoni zinc finger protein 0.0036 0.0242 0.0242
Schistosoma mansoni RAR-like nuclear receptor 0.0077 0.0847 0.0847
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0608 0.1412
Schistosoma mansoni thyroid hormone receptor 0.0333 0.4644 0.4644
Onchocerca volvulus Bile acid receptor homolog 0.0077 0.0847 0.4223
Loa Loa (eye worm) hypothetical protein 0.0148 0.1896 0.2506
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0077 0.0847 0.1047
Echinococcus granulosus carbonic anhydrase II 0.0121 0.15 0.1476
Schistosoma mansoni nuclear receptor 0.0036 0.0242 0.0242
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0608 0.0608
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0127 0.159 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0655 0.3277
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0655 0.079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0077 0.0847 0.1047
Onchocerca volvulus 0.005 0.044 0.1983
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0025 0.008 0.0053
Brugia malayi hypothetical protein 0.053 0.7566 1
Brugia malayi nuclear hormone receptor 0.0077 0.0847 0.1047
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0121 0.15 0.3894
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0077 0.0847 0.112
Brugia malayi hypothetical protein 0.0036 0.0242 0.0241
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.184 0.2432
Echinococcus granulosus nuclear receptor nhr 48 0.0036 0.0242 0.0215
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Brugia malayi conserved hypotetical protein 0.0036 0.0242 0.0241
Schistosoma mansoni uridine phosphorylase 0.0025 0.008 0.008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0077 0.0847 0.0822
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0608 0.1449
Schistosoma mansoni carbonic anhydrase 0.0028 0.0112 0.0112
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Brugia malayi hypothetical protein 0.0036 0.0242 0.0241
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0127 0.0168
Echinococcus granulosus GPCR family 2 0.0048 0.0413 0.0387
Loa Loa (eye worm) DR-78 0.0036 0.0242 0.032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0318 0.042
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0077 0.0847 0.112
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0144 0.1833 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.184 0.237
Loa Loa (eye worm) hypothetical protein 0.0112 0.1359 0.1796
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0077 0.0847 0.0847
Loa Loa (eye worm) nuclear hormone receptor 0.0036 0.0242 0.032
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0242 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1562 0.1562
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0271 0.3726 1
Echinococcus multilocularis protein dispatched 1 0.0112 0.1359 0.1335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0077 0.0847 0.112
Brugia malayi Rhodanese-like domain containing protein 0.0056 0.0529 0.0623
Schistosoma mansoni bromodomain containing protein 0.0062 0.0615 0.0615
Schistosoma mansoni purine nucleoside phosphorylase 0.0025 0.008 0.008
Brugia malayi nuclear receptor NHR-67 0.0036 0.0242 0.0241
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0036 0.0242 0.0893
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0144 0.1833 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0112 0.0067
Echinococcus multilocularis lamin 0.0029 0.0127 0.0099
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0271 0.3726 0.9745
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0077 0.0847 0.1047
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Loa Loa (eye worm) hypothetical protein 0.0048 0.0413 0.0546
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0564 0.0537
Loa Loa (eye worm) nuclear receptor NHR-67 0.0036 0.0242 0.032
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0608 0.1412
Schistosoma mansoni microtubule-associated protein tau 0.0694 1 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0242 0.0242
Schistosoma mansoni hypothetical protein 0.0048 0.0413 0.0413
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0077 0.0847 0.0822
Brugia malayi hypothetical protein 0.0041 0.0307 0.0327
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0242 0.0215
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Loa Loa (eye worm) RNA binding protein 0.0125 0.1562 0.2064
Schistosoma mansoni lamin 0.0029 0.0127 0.0127
Brugia malayi orphan nuclear receptor NR2E1 0.0036 0.0242 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0077 0.0847 0.1047
Echinococcus multilocularis lamin dm0 0.0029 0.0127 0.0099
Loa Loa (eye worm) hypothetical protein 0.0051 0.0465 0.0614
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0036 0.0242 0.032
Echinococcus multilocularis protein patched 0.0112 0.1359 0.1335
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0077 0.0847 0.1047
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0041 0.0307 0.028
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0608 0.3014
Echinococcus granulosus tar DNA binding protein 0.0125 0.1562 0.1539
Schistosoma mansoni nuclear hormone receptor 0.0077 0.0847 0.0847
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0413 0.0469
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0787 0.0762
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0077 0.0847 0.0847
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0036 0.0242 0.0242
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0271 0.3726 1
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0242 0.0242
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0077 0.0847 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1562 0.1562
Loa Loa (eye worm) hypothetical protein 0.0056 0.0529 0.07
Loa Loa (eye worm) hypothetical protein 0.0028 0.0112 0.0148
Loa Loa (eye worm) hypothetical protein 0.0051 0.0465 0.0614
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0036 0.0242 0.0215
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.3078 0.4068
Onchocerca volvulus 0.0029 0.0127 0.0256
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0077 0.0847 0.0822
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0608 0.0583
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0655 0.1576
Onchocerca volvulus Protein ultraspiracle homolog 0.0077 0.0847 0.4223
Treponema pallidum uridine phosphorylase (udp) 0.0144 0.1833 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0144 0.1833 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0121 0.15 0.3894
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0028 0.0112 0.0148
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.1949 0.2515
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0121 0.15 0.1916
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1057 0.1326
Toxoplasma gondii hypothetical protein 0.0028 0.0112 0.0183
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0242 0.0215
Echinococcus granulosus thyroid hormone receptor alpha 0.0036 0.0242 0.0215
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0307 0.0406
Brugia malayi nuclear hormone receptor family member nhr-6 0.0036 0.0242 0.0241
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0608 0.1412
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0271 0.3726 0.3709
Entamoeba histolytica hypothetical protein 0.0073 0.0787 0.4035
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0121 0.15 0.15
Echinococcus multilocularis FTZ F1 alpha 0.0077 0.0847 0.0822
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0127 0.0168
Echinococcus multilocularis uridine phosphorylase 1 0.0025 0.008 0.0053
Echinococcus multilocularis Niemann Pick C1 protein 0.0112 0.1359 0.1335
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Echinococcus multilocularis carbonic anhydrase II 0.0121 0.15 0.1476
Echinococcus granulosus carbonic anhydrase 0.0028 0.0112 0.0085
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1562 0.2064
Brugia malayi hypothetical protein 0.0148 0.1896 0.2445
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0242 0.0215
Brugia malayi CHE-14 protein 0.0112 0.1359 0.1729
Loa Loa (eye worm) hypothetical protein 0.0077 0.0847 0.112
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0077 0.0847 0.1047
Chlamydia trachomatis AMP nucleosidase 0.0025 0.008 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0036 0.0242 0.0241
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0413 0.0387
Brugia malayi MTAP 0.0025 0.008 0.0025
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0112 0.0112
Brugia malayi tailless protein 0.0036 0.0242 0.0241
Entamoeba histolytica hypothetical protein 0.0073 0.0787 0.4035
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0413 0.0469
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0307 0.0307
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0413 0.0387
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0168
Brugia malayi nuclear hormone receptor 0.0036 0.0242 0.0241
Schistosoma mansoni purine nucleoside phosphorylase 0.0025 0.008 0.008
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0077 0.0847 0.0822
Onchocerca volvulus 0.0056 0.0529 0.2473
Echinococcus granulosus FTZ F1 alpha 0.0077 0.0847 0.0822
Schistosoma mansoni hypothetical protein 0.0028 0.0112 0.0112
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0112 0.0112
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.159 0.8614
Echinococcus multilocularis thyroid hormone receptor alpha 0.0333 0.4644 0.4629
Schistosoma mansoni hypothetical protein 0.0104 0.1238 0.1238
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0077 0.0847 0.0822
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0144 0.1833 1
Brugia malayi nuclear receptor RXR 0.0036 0.0242 0.0241
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0056 0.0529 0.2563
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0077 0.0847 0.112
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0144 0.1833 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0307 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0307 0.0327
Echinococcus granulosus carbonic anhydrase 0.0028 0.0112 0.0085
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0056 0.0529 0.0529
Brugia malayi Nuclear hormone receptor-like 1 0.0077 0.0847 0.1047
Echinococcus granulosus geminin 0.0341 0.476 0.4745
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0112 0.0085
Brugia malayi photoreceptor-specific nuclear receptor 0.0077 0.0847 0.1047
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0254 0.0227
Onchocerca volvulus 0.0036 0.0242 0.0893
Brugia malayi hypothetical protein 0.0041 0.0307 0.0327
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0413 0.0387
Echinococcus multilocularis sterol regulatory element binding protein 0.0112 0.1359 0.1335
Echinococcus multilocularis geminin 0.0341 0.476 0.4745
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0413 0.0546
Schistosoma mansoni nuclear receptor 0.0036 0.0242 0.0242
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.1949 0.2576
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0025 0.008 0.5
Trichomonas vaginalis cdc25c, putative 0.0056 0.0529 0.2563
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0077 0.0847 0.0822
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1562 0.1562
Brugia malayi Bromodomain containing protein 0.0073 0.0784 0.0963
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0112 0.1359 0.1796
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0221 0.0194
Echinococcus granulosus methylthioadenosine phosphorylase 0.0025 0.008 0.0053
Onchocerca volvulus 0.0036 0.0242 0.0893
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0307 0.0406
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0028 0.0112 0.0067
Schistosoma mansoni hypothetical protein 0.0073 0.0787 0.0787
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1562 0.1562
Schistosoma mansoni nuclear receptor nhr-48 0.0036 0.0242 0.0242
Echinococcus multilocularis GPCR, family 2 0.0048 0.0413 0.0387
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0271 0.3726 1
Onchocerca volvulus 0.0148 0.1896 1
Brugia malayi TAR-binding protein 0.0125 0.1562 0.1999
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0056 0.0529 0.0503
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0077 0.0847 0.0847
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1057 0.1397
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0036 0.0242 0.0893
Schistosoma mansoni methylthioadenosine phosphorylase 0.0025 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Schistosoma mansoni hypothetical protein 0.0048 0.0413 0.0413
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0036 0.0242 0.0215
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.184 0.2432
Echinococcus granulosus purine nucleoside phosphorylase 0.0025 0.008 0.0053
Schistosoma mansoni hypothetical protein 0.0341 0.476 0.476
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0221 0.0194
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0655 0.1576
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0077 0.0847 0.1047
Loa Loa (eye worm) carbonic anhydrase 3 0.0121 0.15 0.1982
Loa Loa (eye worm) hypothetical protein 0.0152 0.1949 0.2576
Brugia malayi hypothetical protein 0.0073 0.0787 0.0967
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0121 0.15 0.3894
Loa Loa (eye worm) hypothetical protein 0.0028 0.0119 0.0157
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0271 0.3726 0.4883
Loa Loa (eye worm) hypothetical protein 0.0036 0.0242 0.032
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0655 0.1576
Leishmania major carbonic anhydrase-like protein 0.0121 0.15 0.3894
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0028 0.0112 0.0067
Echinococcus granulosus Nuclear hormone receptor HR96 0.0036 0.0242 0.0215
Trichomonas vaginalis cdc25b, putative 0.0056 0.0529 0.2563
Brugia malayi Bromodomain containing protein 0.0037 0.0255 0.0257
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.159 0.8614
Brugia malayi Steroid receptor seven-up type 2 0.0077 0.0847 0.1047
Brugia malayi nuclear receptor RXR 0.0041 0.0307 0.0327
Echinococcus multilocularis purine nucleoside phosphorylase 0.0025 0.008 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0077 0.0847 0.1047
Mycobacterium ulcerans hydrolase/amidase 0.0278 0.3821 1
Schistosoma mansoni carbonic anhydrase-related 0.0028 0.0112 0.0112
Brugia malayi nuclear receptor NHR-88 0.0036 0.0242 0.0241
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.1359 0.7295
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0112 0.1359 0.1359
Loa Loa (eye worm) hypothetical protein 0.0037 0.0256 0.0338
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0077 0.0847 0.0822
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0121 0.15 0.1916
Brugia malayi follicle stimulating hormone receptor 0.0228 0.3078 0.4019
Echinococcus multilocularis carbonic anhydrase 0.0028 0.0112 0.0085
Echinococcus granulosus carbonic anhydrase 0.0028 0.0112 0.0085
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0056 0.0529 0.2563
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0077 0.0847 0.1047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1057 0.1032
Entamoeba histolytica hypothetical protein 0.0073 0.0787 0.4035
Brugia malayi RNA binding protein 0.0125 0.1562 0.1999
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1057 0.1057
Loa Loa (eye worm) hypothetical protein 0.0041 0.0307 0.0406
Brugia malayi Nuclear hormone receptor E75 0.0036 0.0242 0.0241
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0655 0.0655

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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