Detailed information for compound 145563

Basic information

Technical information
  • TDR Targets ID: 145563
  • Name: [(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-[[(2S)-p yrrolidin-2-yl]methyl]-6-(trifluoromethyl)-4, 5-dihydro-3H-1-benzazepin-3-yl] acetate
  • MW: 476.488 | Formula: C25H27F3N2O4
  • H donors: 1 H acceptors: 2 LogP: 4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@@H]1Cc2c(N(C(=O)[C@@H]1OC(=O)C)C[C@@H]1CCCN1)cccc2C(F)(F)F
  • InChi: 1S/C25H27F3N2O4/c1-15(31)34-23-19(16-8-10-18(33-2)11-9-16)13-20-21(25(26,27)28)6-3-7-22(20)30(24(23)32)14-17-5-4-12-29-17/h3,6-11,17,19,23,29H,4-5,12-14H2,1-2H3/t17-,19-,23+/m0/s1
  • InChiKey: LMMFNPFUDYQJEK-WCAVRKLYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • acetic acid [(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-[[(2S)-2-pyrrolidinyl]methyl]-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester
  • [(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-[[(2S)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate
  • acetic acid [(3R,4S)-2-keto-4-(4-methoxyphenyl)-1-[[(2S)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester

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
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0271 0.085
Brugia malayi Calcitonin receptor-like protein seb-1 0.0257 0.1158 0.2851
Brugia malayi hypothetical protein 0.0229 0.1021 0.2512
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0089 0.0089
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0197 0.1876
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0271 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0135 0.0135
Brugia malayi Bromodomain containing protein 0.0083 0.0312 0.0763
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0304 0.0742
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0089 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0271 0.3169
Loa Loa (eye worm) MBCTL1 0.0053 0.0167 0.0403
Brugia malayi MH2 domain containing protein 0.0117 0.0476 0.1167
Trypanosoma cruzi UDP-galactopyranose mutase 0.0041 0.0106 0.0395
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0271 0.0271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0346 0.1591 0.1591
Echinococcus multilocularis geminin 0.034 0.1559 0.1559
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.011 0.0427
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0197 0.0197
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0089 0.0089
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0346 0.1591 0.1591
Schistosoma mansoni hypothetical protein 0.034 0.1559 0.1559
Onchocerca volvulus 0.0122 0.0503 0.0985
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0346 0.1591 0.3917
Onchocerca volvulus 0.0075 0.0271 0.0477
Schistosoma mansoni hypothetical protein 0.0047 0.0135 0.0135
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0271 0.04
Echinococcus granulosus neuropeptide s receptor 0.045 0.2096 0.2096
Brugia malayi SWIRM domain containing protein 0.0041 0.0106 0.0254
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0118 0.0481 0.0481
Echinococcus granulosus zinc finger protein 0.0022 0.0014 0.0014
Mycobacterium ulcerans hypothetical protein 0.0155 0.0663 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.023 0.023
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0089 0.0269
Echinococcus granulosus neuropeptide receptor A26 0.045 0.2096 0.2096
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0271 0.04
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0925 0.4407 0.4407
Schistosoma mansoni hypothetical protein 0.0081 0.0304 0.0304
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0304 0.0742
Toxoplasma gondii exonuclease III APE 0.0037 0.0089 0.0816
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0271 0.1682
Brugia malayi beta-lactamase family protein 0.0075 0.0271 0.0662
Chlamydia trachomatis protoporphyrinogen oxidase 0.0041 0.0106 0.5
Brugia malayi Abnormal catecholamine distribution protein 1 0.0186 0.0813 0.1999
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0089 0.0816
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0089 0.0269
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.0381 0.0381
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0257 0.1158 0.285
Onchocerca volvulus 0.0971 0.463 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0271 0.04
Plasmodium vivax SET domain protein, putative 0.0122 0.0503 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0055 0.0413
Schistosoma mansoni amine oxidase 0.0041 0.0106 0.0106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0271 0.0271
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0197 0.0197
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0135 0.0135
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0271 0.085
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0106 0.1177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.084 0.084
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0271 0.0661
Loa Loa (eye worm) hypothetical protein 0.0141 0.0595 0.146
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1341 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0197 0.3203
Brugia malayi PHD-finger family protein 0.0028 0.0042 0.0097
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0255 0.1147 0.1147
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0135 0.0326
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0041 0.0106 1
Echinococcus multilocularis pol protein 0.0634 0.2992 0.2992
Loa Loa (eye worm) hypothetical protein 0.003 0.0055 0.0127
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0102 0.0102
Brugia malayi beta-lactamase family protein 0.0075 0.0271 0.0662
Brugia malayi mbt repeat family protein 0.0047 0.0135 0.0327
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0083 0.0083
Echinococcus multilocularis pol protein 0.0634 0.2992 0.2992
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0053 0.0053
Onchocerca volvulus 0.0047 0.0135 0.0181
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0019 0.0039
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0154 0.0769
Echinococcus multilocularis microtubule associated protein 2 0.2076 1 1
Schistosoma mansoni hypothetical protein 0.034 0.1559 0.1559
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0055 0.0049
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0271 0.0271
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0141 0.0595 0.0595
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0167 0.0167
Brugia malayi amine oxidase, flavin-containing family protein 0.0041 0.0106 0.0254
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0197 0.1876
Onchocerca volvulus 0.0075 0.0271 0.0477
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0271 0.085
Echinococcus multilocularis pol protein 0.0634 0.2992 0.2992
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0042 0.0115 0.0275
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0255 0.1147 0.1147
Mycobacterium tuberculosis Conserved protein 0.0075 0.0271 0.085
Loa Loa (eye worm) hypothetical protein 0.0431 0.2002 0.493
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1021 0.1021
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0271 0.1682
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0041 0.0106 0.0283
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0206 0.0501
Onchocerca volvulus 0.0048 0.0141 0.0193
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0167 0.0167
Brugia malayi latrophilin 2 splice variant baaae 0.0176 0.0763 0.1875
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0271 0.085
Loa Loa (eye worm) hypothetical protein 0.0176 0.0763 0.1874
Brugia malayi Bromodomain containing protein 0.0042 0.0114 0.0275
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0271 0.085
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.1341 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.003 0.003
Mycobacterium ulcerans monoamine oxidase 0.0041 0.0106 0.0283
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0055 0.0413
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0135 0.0327
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0663 0.2683
Echinococcus granulosus histone lysine methyltransferase setb 0.0141 0.0595 0.0595
Mycobacterium tuberculosis Conserved protein 0.0075 0.0271 0.085
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0041 0.0106 0.0106
Echinococcus multilocularis 0.0041 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0051 0.0156 0.0376
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0109 0.0109
Schistosoma mansoni survival motor neuron protein 0.0047 0.0135 0.0135
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0041 0.0106 0.0283
Echinococcus granulosus peregrin 0.0032 0.0065 0.0065
Brugia malayi Bromodomain containing protein 0.0032 0.0065 0.0154
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0093 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0346 0.1591 0.1591
Mycobacterium tuberculosis Conserved protein 0.0075 0.0271 0.085
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0135 0.0135
Echinococcus granulosus lysine specific histone demethylase 1A 0.0041 0.0106 0.0106
Onchocerca volvulus 0.0075 0.0271 0.0477
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0089 0.5
Echinococcus multilocularis synaptic vesicular amine transporter 0.0186 0.0813 0.0813
Trypanosoma cruzi UDP-galactopyranose mutase 0.0041 0.0106 0.0395
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0586 0.4132
Leishmania major hypothetical protein, conserved 0.0075 0.0271 0.1682
Schistosoma mansoni hypothetical protein 0.0081 0.0304 0.0304
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0197 0.0503
Schistosoma mansoni vesicular amine transporter 0.0186 0.0813 0.0813
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0271 0.4849
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0047 0.0135 0.0326
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0197 0.1105
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0053 0.0053
Echinococcus multilocularis tumor protein p63 0.0327 0.1499 0.1499
Schistosoma mansoni microtubule-associated protein tau 0.2076 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.003 0.003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.011 0.0427
Echinococcus granulosus tumor protein p63 0.0327 0.1499 0.1499
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0093 0.0093
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.011 0.0427
Toxoplasma gondii ABC1 family protein 0.0075 0.0271 0.4849
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0122 0.0503 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0476 0.1166
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1021 0.1021
Mycobacterium ulcerans dehydrogenase 0.0041 0.0106 0.0283
Brugia malayi PHD-finger family protein 0.003 0.0053 0.0123
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0041 0.0106 1
Mycobacterium ulcerans beta-lactamase 0.0075 0.0271 0.3169
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.2096 0.2096
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0106 0.1177
Toxoplasma gondii hypothetical protein 0.0048 0.0139 0.1924
Echinococcus multilocularis peregrin 0.0032 0.0065 0.0065
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0053 0.0053
Leishmania major UDP-galactopyranose mutase 0.0041 0.0106 0.0395
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0041 0.0106 0.1177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0346 0.1591 0.1591
Schistosoma mansoni ap endonuclease 0.0037 0.0089 0.0089
Schistosoma mansoni hypothetical protein 0.0023 0.0019 0.0019
Loa Loa (eye worm) beta-lactamase 0.0075 0.0271 0.0661
Mycobacterium ulcerans oxidoreductase 0.0041 0.0106 0.0283
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0141 0.0595 0.0595
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0122 0.0503 0.0503
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0271 0.1682
Mycobacterium tuberculosis Possible oxidoreductase 0.0041 0.0106 0.0076
Schistosoma mansoni hypothetical protein 0.0081 0.0304 0.0304
Echinococcus multilocularis protoporphyrinogen oxidase 0.0041 0.0106 0.0106
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0477 0.2227 1
Onchocerca volvulus 0.0047 0.0135 0.0181
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0089 1
Mycobacterium ulcerans hypothetical protein 0.0075 0.0271 0.3169
Onchocerca volvulus 0.0041 0.0106 0.0116
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0135 0.0135
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1341 1
Echinococcus granulosus geminin 0.034 0.1559 0.1559
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.1341 1
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0271 0.085
Loa Loa (eye worm) hypothetical protein 0.0053 0.0167 0.0403
Schistosoma mansoni hypothetical protein 0.0081 0.0304 0.0304
Echinococcus granulosus synaptic vesicular amine transporter 0.0186 0.0813 0.0813
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0089 0.5
Trichomonas vaginalis esterase, putative 0.0075 0.0271 0.04
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0167 0.0404
Schistosoma mansoni amine oxidase 0.0041 0.0106 0.0106
Schistosoma mansoni bromodomain containing protein 0.007 0.0249 0.0249
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0089 0.0213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0346 0.1591 0.1591
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0304 0.0304
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0055 0.0049
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0041 0.0106 0.0106
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0167 0.0167
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0271 0.0662
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0041 0.0106 0.0283
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0093 0.0222
Schistosoma mansoni zinc finger protein 0.0022 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0078 0.0289 0.0705
Echinococcus multilocularis neuropeptide s receptor 0.045 0.2096 0.2096
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.084 0.084
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0106 0.0076
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0853 0.4057 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 0.0186 0.0813 0.1998
Brugia malayi beta-lactamase 0.0075 0.0271 0.0662
Mycobacterium leprae Probable lipase LipE 0.0075 0.0271 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0271 0.085
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Brugia malayi jmjC domain containing protein 0.0038 0.0093 0.0223
Plasmodium falciparum protoporphyrinogen oxidase 0.0041 0.0106 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0346 0.1591 0.1591
Trichomonas vaginalis set domain proteins, putative 0.0971 0.463 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0141 0.0595 0.0595
Brugia malayi hypothetical protein 0.003 0.0055 0.0128
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0284 0.0284
Brugia malayi hypothetical protein 0.0041 0.0106 0.0254
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0093 0.0093
Brugia malayi Pre-SET motif family protein 0.0122 0.0503 0.1234
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0089 0.6934
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0503 0.0503
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0102 0.0102
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0431 0.2002 0.493
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.0381 0.0381
Echinococcus multilocularis pol protein 0.0634 0.2992 0.2992
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0089 0.0269
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0197 0.1876
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0586 0.4132
Loa Loa (eye worm) hypothetical protein 0.0041 0.0106 0.0252
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Loa Loa (eye worm) hypothetical protein 0.0047 0.0138 0.0332
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0041 0.0106 0.0106
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0271 0.3169
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.003 0.003
Mycobacterium ulcerans lipase LipD 0.0075 0.0271 0.3169
Schistosoma mansoni hypothetical protein 0.0176 0.0763 0.0763
Brugia malayi jmjC domain containing protein 0.0097 0.0381 0.0933
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0075 0.0271 0.0661
Brugia malayi Pre-SET motif family protein 0.0853 0.4057 1
Schistosoma mansoni hypothetical protein 0.003 0.0053 0.0053
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0167 0.0167
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0135 0.0135
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0304 0.0741
Loa Loa (eye worm) hypothetical protein 0.003 0.0053 0.0122
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0141 0.0141
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0476 0.1166
Echinococcus granulosus lysine specific histone demethylase 1A 0.0041 0.0106 0.0106
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0271 0.04
Loa Loa (eye worm) hypothetical protein 0.0229 0.1021 0.2511
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.011 0.0427
Echinococcus multilocularis GPCR, family 2 0.0081 0.0304 0.0304
Brugia malayi mbt repeat family protein 0.0047 0.0135 0.0327
Loa Loa (eye worm) hypothetical protein 0.0048 0.0141 0.034
Echinococcus multilocularis zinc finger protein 0.0022 0.0014 0.0014
Schistosoma mansoni ap endonuclease 0.0037 0.0089 0.0089
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0135 0.0181
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.023 0.023
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0122 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0045 0.0128 0.0306
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0041 0.0106 0.1177
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0586 0.4132
Schistosoma mansoni hypothetical protein 0.0292 0.1326 0.1326
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0089 0.0212
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0167 0.0167
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0089 0.0269
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0053 0.0122
Loa Loa (eye worm) hypothetical protein 0.0081 0.0304 0.0741
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0346 0.1591 0.3916
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0271 0.04
Toxoplasma gondii histone lysine-specific demethylase 0.0041 0.0106 0.1177
Echinococcus granulosus GPCR family 2 0.0081 0.0304 0.0304
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0346 0.1591 0.1591
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0041 0.0106 0.1177

Activities

Activity type Activity value Assay description Source Reference
Decrease in blood pressure (functional) = 38 % Antihypertensive activity 6-12h after 135 micromol/kg p.o. in rats. ChEMBL. 1635059
Decrease in blood pressure (functional) = 38 % Antihypertensive activity 12-18 h after 135 micromol/kg p.o. in rats. ChEMBL. 1635059
Decrease in blood pressure (functional) = 44 % Antihypertensive activity 0-6 hr after 135 micromol/kg p.o. in rats. ChEMBL. 1635059
Hydrolysis (functional) = 0 % Extent of hydrolysis of C3 acetyl group of 0.4 mM of compound 5 min after exposure by rat liver homogenate ChEMBL. 1635059
Hydrolysis (functional) = 0 % Extent of hydrolysis of C3 acetyl group of 0.4 mM of compound 30 min after exposure by rat liver homogenate ChEMBL. 1635059
IC50 (functional) = 0.09 uM In vitro vasorelaxant activity in circumferential strips of potassium-depolarized rabbit aorta. ChEMBL. 1635059

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.