Detailed information for compound 281083

Basic information

Technical information
  • Name: Unnamed compound
  • 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)CC1CCCN1)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-KGEHUUDLSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) = 21 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 0-6 h. ChEMBL. 1542102
Decrease (functional) = 22 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 6-12 h. ChEMBL. 1542102
Decrease (functional) = 26 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 12-18 h. ChEMBL. 1542102
Decrease (functional) = 38 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 12-18 h. ChEMBL. 1542102
Decrease (functional) = 39 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 6-12 h. ChEMBL. 1542102
Decrease (functional) = 45 % In vivo evaluation for the percentage decrease in blood pressure at 135 micromol/kg administered through oral route in spontaneously hypertensive rats and observed for 0-6 h. ChEMBL. 1542102
IC50 (functional) = 0.091 uM In Vitro evaluation of the compound for the vasorelaxant effects in circumferential strips of potassium-depolarized rabbit aorta. (IC50 in rabbit aorta strips contracted with KCl ChEMBL. 1542102
IC50 (functional) = 0.63 uM Vasorelaxant effects in circumferential strips of potassium-depolarized rabbit aorta. (IC50 in rabbit aorta strips contracted with KCl(95% confidence interval)) ChEMBL. 1542102

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.