Detailed information for compound 147942

Basic information

Technical information
  • TDR Targets ID: 147942
  • Name: N-[2-[4-[(2,4-dibutyl-4-methyl-3,5-dioxopyraz olidin-1-yl)methyl]phenyl]phenyl]sulfonylbenz amide
  • MW: 575.718 | Formula: C32H37N3O5S
  • H donors: 1 H acceptors: 5 LogP: 6.47 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCN1N(Cc2ccc(cc2)c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)C(=O)C(C1=O)(C)CCCC
  • InChi: 1S/C32H37N3O5S/c1-4-6-21-32(3)30(37)34(22-7-5-2)35(31(32)38)23-24-17-19-25(20-18-24)27-15-11-12-16-28(27)41(39,40)33-29(36)26-13-9-8-10-14-26/h8-20H,4-7,21-23H2,1-3H3,(H,33,36)
  • InChiKey: GISSXIODIAZPTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-[(2,4-dibutyl-4-methyl-3,5-dioxo-pyrazolidin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide
  • N-[2-[4-[(2,4-dibutyl-4-methyl-3,5-dioxo-1-pyrazolidinyl)methyl]phenyl]phenyl]sulfonylbenzamide
  • N-[2-[4-[(2,4-dibutyl-3,5-diketo-4-methyl-pyrazolidin-1-yl)methyl]phenyl]phenyl]sulfonylbenzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens angiotensin II receptor, type 1 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
Echinococcus granulosus pyroglutamylated rfamide peptide receptor angiotensin II receptor, type 1 359 aa 403 aa 19.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0019 0.0061 0.0105
Loa Loa (eye worm) hypothetical protein 0.0028 0.0174 0.0485
Schistosoma mansoni aryl hydrocarbon receptor 0.0051 0.0448 0.1301
Echinococcus multilocularis protein patched 0.0044 0.0364 0.0333
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Brugia malayi hypothetical protein 0.0017 0.004 0.0071
Trypanosoma brucei protein kinase, putative 0.0054 0.0477 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0477 1
Echinococcus multilocularis acetylcholinesterase 0.0286 0.3264 0.3242
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0286 0.6
Trichomonas vaginalis esterase, putative 0.0038 0.0286 0.0764
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0019 0.0061 0.0105
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0082 0.005
Brugia malayi Pre-SET motif family protein 0.0219 0.2458 0.7517
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0019 0.0061 0.0105
Loa Loa (eye worm) cytochrome P450 0.0019 0.0061 0.0136
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0289 0.0837
Brugia malayi Bromodomain containing protein 0.0079 0.0775 0.2335
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0286 0.0801
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0153 0.3197
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0019 0.0061 0.0105
Loa Loa (eye worm) hypothetical protein 0.0103 0.1069 0.324
Brugia malayi Carboxylesterase family protein 0.0048 0.0414 0.1224
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0033 0.0048
Echinococcus multilocularis lamin dm0 0.0028 0.0175 0.0143
Loa Loa (eye worm) hypothetical protein 0.0045 0.0369 0.1086
Schistosoma mansoni hypothetical protein 0.0017 0.0033 0.0018
Brugia malayi Cytochrome P450 family protein 0.0047 0.0401 0.1182
Schistosoma mansoni acetylcholinesterase 0.0048 0.0414 0.1197
Brugia malayi Carboxylesterase family protein 0.0286 0.3264 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0286 0.6
Leishmania major hypothetical protein, conserved 0.0016 0.0027 0.0558
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0286 0.0563
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0425 0.123
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0082 0.0201
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0583 0.0552
Schistosoma mansoni hypothetical protein 0.0022 0.0094 0.0207
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0033 0.0139
Trichomonas vaginalis set domain proteins, putative 0.0249 0.282 1
Echinococcus multilocularis acetylcholinesterase 0.0286 0.3264 0.3242
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0286 0.0802
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0019 0.0061 0.0105
Loa Loa (eye worm) hypothetical protein 0.004 0.0316 0.0921
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0076 0.0044
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.1069 0.104
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0364 0.0737
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0049 0.0068
Schistosoma mansoni lamin 0.0028 0.0175 0.0457
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.1599 0.1571
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0047 0.0401 0.9615
Onchocerca volvulus 0.0158 0.1729 0.5806
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0286 0.0829
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.0425 0.087
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0076 0.0044
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0019 0.0061 0.0105
Schistosoma mansoni survival motor neuron protein 0.0051 0.0443 0.1285
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0364 0.0333
Mycobacterium tuberculosis Conserved protein 0.0038 0.0286 0.0943
Echinococcus granulosus lamin dm0 0.0028 0.0175 0.0315
Entamoeba histolytica hypothetical protein 0.0038 0.0286 0.211
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0477 0.146
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0033 0.0001
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0401 0.1182
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0153 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0033 0.069
Echinococcus multilocularis regulator of G protein signaling 0.002 0.0076 0.0044
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0286 0.0764
Entamoeba histolytica hypothetical protein 0.0038 0.0286 0.211
Schistosoma mansoni regulator of G protein signaling 0.002 0.0076 0.0154
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0477 0.0986
Echinococcus granulosus neuroligin 0.0048 0.0414 0.0847
Brugia malayi isocitrate dehydrogenase 0.0017 0.0033 0.0049
Echinococcus multilocularis geminin 0.0177 0.1959 0.1933
Echinococcus granulosus axis inhibition protein axin 0.002 0.0076 0.0097
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0061 0.0136
Echinococcus multilocularis expressed conserved protein 0.0097 0.0994 0.0965
Echinococcus granulosus zinc finger protein 0.002 0.008 0.0106
Echinococcus multilocularis Regulator of G protein signaling 20 0.002 0.0076 0.0044
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0153 0.2795
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0153 0.3197
Brugia malayi PAS domain containing protein 0.0051 0.0448 0.1327
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0033 0.069
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.1331 0.4048
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0477 0.1391
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0153 0.4723
Plasmodium vivax SET domain protein, putative 0.0031 0.0211 0.7034
Schistosoma mansoni single-minded 0.0051 0.0448 0.1301
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Schistosoma mansoni hypothetical protein 0.0017 0.0033 0.0018
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0286 1
Echinococcus granulosus carboxylesterase 5A 0.0286 0.3264 0.7171
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0286 0.0943
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0286 0.0254
Leishmania major hypothetical protein, conserved 0.0038 0.0286 0.6
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0286 0.0764
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0076 0.0044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.0425 0.123
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.002 0.0076 0.0097
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0285 0.0561
Loa Loa (eye worm) hypothetical protein 0.0286 0.3264 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Onchocerca volvulus 0.0038 0.0286 0.0416
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0477 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0049 0.0036
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0286 0.0764
Mycobacterium ulcerans lipase LipD 0.0038 0.0286 0.6372
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Onchocerca volvulus 0.0031 0.0211 0.0136
Loa Loa (eye worm) hypoxia-induced factor 1 0.0158 0.1732 0.5283
Loa Loa (eye worm) hypothetical protein 0.0172 0.1892 0.5774
Echinococcus multilocularis neuroligin 0.0048 0.0414 0.0383
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0082 0.0201
Echinococcus granulosus cytochrome P450 2K1 0.0019 0.0061 0.0063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.046 0.1364
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0019 0.0061 0.0105
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0094 0.0236
Loa Loa (eye worm) hypothetical protein 0.0052 0.046 0.1364
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0477 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.046 0.1364
Onchocerca volvulus 0.0048 0.0414 0.0895
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0082 0.0172
Trichomonas vaginalis spcc417.12 protein, putative 0.0048 0.0414 0.1231
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0048 0.0414 0.1231
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0019 0.0061 0.0105
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0076 0.0097
Schistosoma mansoni hypothetical protein 0.0177 0.1959 0.5969
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0076 0.0154
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0048 0.0414 0.0847
Loa Loa (eye worm) hypothetical protein 0.0049 0.0425 0.1256
Echinococcus multilocularis zinc finger protein 0.002 0.008 0.0048
Brugia malayi Bromodomain containing protein 0.004 0.0315 0.0918
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0364 0.107
Brugia malayi hypothetical protein 0.0027 0.0153 0.0418
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.2815 0.2792
Schistosoma mansoni hypothetical protein 0.0043 0.0345 0.0985
Mycobacterium leprae Probable lipase LipE 0.0038 0.0286 1
Schistosoma mansoni hypothetical protein 0.0177 0.1959 0.5969
Brugia malayi Carboxylesterase family protein 0.0286 0.3264 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0346 0.1012
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0477 0.146
Mycobacterium tuberculosis Conserved protein 0.0038 0.0286 0.0943
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0286 0.5763
Trypanosoma cruzi ISWI complex protein 0.0016 0.0027 0.0558
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0076 0.0183
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Echinococcus granulosus acetylcholinesterase 0.0286 0.3264 0.7171
Echinococcus granulosus expressed conserved protein 0.0097 0.0994 0.2134
Brugia malayi beta-lactamase family protein 0.0038 0.0286 0.0829
Loa Loa (eye worm) acetylcholinesterase 1 0.0286 0.3264 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0477 1
Brugia malayi beta-lactamase family protein 0.0038 0.0286 0.0829
Onchocerca volvulus 0.0038 0.0289 0.0425
Trypanosoma brucei cytochrome P450, putative 0.0047 0.0401 0.8305
Brugia malayi A-kinase anchor protein 10, precursor 0.002 0.0076 0.0183
Onchocerca volvulus 0.0048 0.0414 0.0895
Loa Loa (eye worm) carboxylesterase 0.0048 0.0414 0.1224
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.002 0.0076 0.0154
Brugia malayi hypothetical protein 0.0038 0.0286 0.0828
Brugia malayi hypothetical protein 0.002 0.0076 0.0183
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0175 0.0486
Leishmania major cytochrome p450-like protein 0.0047 0.0401 0.84
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0049 0.0068
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0076 0.0097
Brugia malayi intermediate filament protein 0.0028 0.0175 0.0486
Schistosoma mansoni gliotactin 0.0048 0.0414 0.1197
Echinococcus granulosus expressed protein 0.0393 0.4539 1
Echinococcus multilocularis lamin 0.0028 0.0175 0.0143
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0285 0.0254
Schistosoma mansoni regulator of G protein signaling 0.002 0.0076 0.0154
Loa Loa (eye worm) hypothetical protein 0.0028 0.0169 0.0467
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.2815 0.6174
Onchocerca volvulus 0.0048 0.0414 0.0895
Echinococcus granulosus geminin 0.0177 0.1959 0.4275
Brugia malayi Carboxylesterase family protein 0.0048 0.0414 0.1224
Onchocerca volvulus 0.0048 0.0414 0.0895
Loa Loa (eye worm) hypothetical protein 0.0249 0.2815 0.8617
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0286 0.0943
Trypanosoma cruzi ISWI complex protein 0.0016 0.0027 0.0558
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0076 0.0183
Schistosoma mansoni intermediate filament proteins 0.0028 0.0175 0.0457
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0076 0.0044
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0019 0.0061 0.0105
Echinococcus granulosus lamin 0.0028 0.0175 0.0315
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0414 0.1197
Entamoeba histolytica hypothetical protein 0.0038 0.0286 0.211
Schistosoma mansoni axis inhibition protein axin 0.002 0.0076 0.0154
Mycobacterium ulcerans carboxylesterase, LipT 0.0048 0.0414 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0033 0.0048
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0477 0.146
Brugia malayi hypothetical protein 0.002 0.0076 0.0183
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0056 0.0121
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0477 0.0986
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0286 0.0829
Brugia malayi PHD-finger family protein 0.0026 0.0147 0.0401
Schistosoma mansoni z-protein (S1r protein) 0.002 0.0076 0.0154
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0033 0.0139
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0286 0.0943
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0418
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2458 0.7517
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0286 0.0254
Echinococcus granulosus BC026374 protein S09 family 0.0048 0.0414 0.0847
Loa Loa (eye worm) hypothetical protein 0.0158 0.1729 0.5273
Echinococcus granulosus single minded 2 0.0038 0.0289 0.0568
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Onchocerca volvulus 0.0249 0.282 0.9881
Brugia malayi PXA domain containing protein 0.002 0.0076 0.0183
Echinococcus multilocularis BC026374 protein (S09 family) 0.0048 0.0414 0.0383
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0286 0.0943
Loa Loa (eye worm) hypothetical protein 0.0286 0.3264 1
Echinococcus granulosus para nitrobenzyl esterase 0.0048 0.0414 0.0847
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0477 0.1417
Loa Loa (eye worm) RGS-3 protein 0.002 0.0076 0.0183
Brugia malayi hypothetical protein 0.0158 0.1729 0.5273
Schistosoma mansoni regulator of G protein signaling 0.002 0.0076 0.0154
Brugia malayi PXA domain containing protein 0.002 0.0076 0.0183
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0019 0.0061 0.0105
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0033 0.0049
Brugia malayi hypothetical protein 0.0249 0.2815 0.8617
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0019 0.0061 0.0767
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0211 0.057
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0082 0.011
Schistosoma mansoni patched 1 0.0044 0.0364 0.1044
Leishmania major hypothetical protein, conserved 0.0027 0.0153 0.3197
Leishmania major cytochrome p450-like protein 0.0019 0.0061 0.1283
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0262 0.0755
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0076 0.0183
Schistosoma mansoni hypothetical protein 0.0038 0.0286 0.0801
Brugia malayi beta-lactamase 0.0038 0.0286 0.0829
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0401 0.1182
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.1069 0.324
Loa Loa (eye worm) hypothetical protein 0.0054 0.0484 0.1437
Loa Loa (eye worm) hypothetical protein 0.0017 0.0033 0.0048
Onchocerca volvulus 0.0252 0.2852 1
Brugia malayi Cytochrome P450 family protein 0.0019 0.0061 0.0136
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0197 0.0365
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0019 0.0061 0.0105
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.046 0.1364
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0076 0.0154
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0049 0.0016
Toxoplasma gondii cytochrome p450 superfamily protein 0.0019 0.0061 0.0637
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0286 0.6372
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0477 1
Echinococcus multilocularis expressed protein 0.0393 0.4539 0.4521
Echinococcus multilocularis protein dispatched 1 0.005 0.0439 0.0408
Mycobacterium ulcerans beta-lactamase 0.0038 0.0286 0.6372
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0076 0.0044
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0477 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0414 0.142
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0477 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0286 0.0562
Loa Loa (eye worm) hypothetical protein 0.0074 0.0721 0.217
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Schistosoma mansoni BC026374 protein (S09 family) 0.0048 0.0414 0.1197
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0033 0.0048
Brugia malayi Carboxylesterase family protein 0.0048 0.0414 0.1224
Echinococcus granulosus Regulator of G protein signaling 20 0.002 0.0076 0.0097
Mycobacterium ulcerans putative regulatory protein 0.0038 0.0289 0.6441
Loa Loa (eye worm) hypothetical protein 0.0048 0.0414 0.1224
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0401 0.84
Echinococcus multilocularis musashi 0.0028 0.0175 0.0143
Echinococcus multilocularis para nitrobenzyl esterase 0.0048 0.0414 0.0383
Schistosoma mansoni hypothetical protein 0.0051 0.0443 0.1285
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0107
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0082 0.0201
Brugia malayi CHE-14 protein 0.0044 0.0364 0.107
Loa Loa (eye worm) hypothetical protein 0.0044 0.0364 0.107
Leishmania major cytochrome p450-like protein 0.0019 0.0061 0.1283
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.0425 0.0394
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0019 0.0061 0.0105
Echinococcus multilocularis carboxylesterase 5A 0.0286 0.3264 0.3242
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0076 0.0097
Mycobacterium ulcerans hypothetical protein 0.0038 0.0286 0.6372
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0076 0.0044
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0286 0.0764
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Loa Loa (eye worm) CYP4Cod1 0.0047 0.0401 0.1182
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.002 0.0076 0.0044
Mycobacterium tuberculosis Conserved protein 0.0038 0.0286 0.0943
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0286 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0477 0.0446
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.1088 0.3279
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0061 0.1283
Schistosoma mansoni cytochrome P450 0.0019 0.0061 0.0107
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0414 0.1197
Brugia malayi MAP kinase sur-1 0.0054 0.0477 0.1417
Schistosoma mansoni hypothetical protein 0.0036 0.0262 0.0727
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0033 0.069
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0175 0.0486
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0082 0.0172
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0117 0.0188
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0286 0.3264 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.1069 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.1331 0.4048
Loa Loa (eye worm) pax transcription factor protein 2 0.0252 0.2852 0.8731
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0286 0.0764
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0082 0.0172
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0048 0.0414 0.1197
Brugia malayi Cytochrome P450 family protein 0.0019 0.0061 0.0136
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0583 0.1222
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0477 0.146
Schistosoma mansoni hypothetical protein 0.0043 0.0345 0.0985
Loa Loa (eye worm) hypothetical protein 0.0028 0.0175 0.0486
Brugia malayi regulator of G-protein signaling rgs-7 0.002 0.0076 0.0183
Loa Loa (eye worm) hypothetical protein 0.0038 0.0286 0.0829
Brugia malayi Pax transcription factor protein 2 0.0252 0.2852 0.8731
Loa Loa (eye worm) carboxylesterase 0.0286 0.3264 1
Schistosoma mansoni hypothetical protein 0.0043 0.0345 0.0985
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0286 0.0943
Brugia malayi MH2 domain containing protein 0.0125 0.1331 0.4048
Echinococcus granulosus acetylcholinesterase 0.0286 0.3264 0.7171
Schistosoma mansoni hypothetical protein 0.0017 0.0033 0.0018
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0286 0.6372
Schistosoma mansoni regulator of G protein signaling 0.002 0.0076 0.0154
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0019 0.0061 0.0105
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0153 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0477 1
Brugia malayi Cytochrome P450 family protein 0.0047 0.0401 0.1182
Brugia malayi Carboxylesterase family protein 0.0048 0.0414 0.1224
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0019 0.0061 0.0105
Echinococcus granulosus intermediate filament protein 0.0028 0.0175 0.0315
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0153 0.2693
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0117 0.0281
Entamoeba histolytica hypothetical protein 0.0038 0.0286 0.211
Onchocerca volvulus 0.0038 0.0286 0.0416
Onchocerca volvulus 0.0038 0.0286 0.0416
Echinococcus multilocularis 0.0019 0.0061 0.0029
Brugia malayi hypothetical protein 0.0172 0.1892 0.5774
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0286 0.0943
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.2718 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0019 0.0061 0.0105
Schistosoma mansoni neuroligin 3 (S09 family) 0.0048 0.0414 0.1197
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0211 0.4012
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0076 0.0097
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0364 0.0737
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0019 0.0061 0.0105
Toxoplasma gondii ABC1 family protein 0.0038 0.0286 0.5703
Schistosoma mansoni bromodomain containing protein 0.0066 0.0628 0.1858
Onchocerca volvulus 0.0051 0.0443 0.1001
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0019 0.0061 0.1283
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0175 0.0486
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0048 0.0414 0.142
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.1069 0.23
Loa Loa (eye worm) hypothetical protein 0.0036 0.0262 0.0755
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0033 0.0019
Mycobacterium tuberculosis Carboxylesterase LipT 0.0048 0.0414 0.142
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0019 0.0061 0.1283
Loa Loa (eye worm) hypothetical protein 0.002 0.0076 0.0183
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0048 0.0414 0.0383
Brugia malayi hypoxia-induced factor 1 0.0158 0.1732 0.5283
Brugia malayi Pre-SET motif family protein 0.0031 0.0211 0.0598
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0019 0.0061 0.1283
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0019 0.0061 0.0105
Schistosoma mansoni hypothetical protein 0.0043 0.0345 0.0985
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0289 0.0257
Echinococcus granulosus Niemann Pick C1 protein 0.0147 0.1599 0.3475
Loa Loa (eye worm) beta-lactamase 0.0038 0.0286 0.0829
Schistosoma mansoni regulator of G protein signaling 0.002 0.0076 0.0154
Schistosoma mansoni zinc finger protein 0.002 0.008 0.0166
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0117 0.0085
Brugia malayi cytochrome P450 0.0019 0.0061 0.0136
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0033 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0211 0.057
Schistosoma mansoni axis inhibition protein axin 0.002 0.0076 0.0154
Brugia malayi hypothetical protein 0.0048 0.0414 0.1224
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0364 0.105
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0286 0.0943
Trypanosoma cruzi cytochrome P450, putative 0.0047 0.0401 0.84
Schistosoma mansoni hypothetical protein 0.0017 0.0033 0.0018
Onchocerca volvulus 0.0048 0.0414 0.0895
Schistosoma mansoni lamin 0.0028 0.0175 0.0457
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0477 0.0446
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0286 0.0802
Echinococcus granulosus axis inhibition protein axin 0.002 0.0076 0.0097
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0477 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0443 0.1311
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0019 0.0061 0.0105
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0076 0.0183
Loa Loa (eye worm) carboxylesterase 0.0048 0.0414 0.1224
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0211 0.0179
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0019 0.0061 0.0105
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0019 0.0061 0.0105
Brugia malayi regulator of G-protein signaling egl-10 0.002 0.0076 0.0183

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 33 nM In vitro antagonist activity, Inhibition of angiotensin II (50 nM) mediated increase in cytosolic [Ca2+] conc. in PLC-PRF-5 cells ChEMBL. 10893306
Ki (binding) = 32 nM Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 ChEMBL. 10893306
Ki (binding) = 32 nM Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 ChEMBL. 10893306

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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