Detailed information for compound 155325

Basic information

Technical information
  • TDR Targets ID: 155325
  • Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(1S )-1-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1- yl]acetic acid
  • MW: 403.474 | Formula: C24H25N3O3
  • H donors: 2 H acceptors: 4 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)nc(n1)O[C@@H]([C@]1(NCCCc2c1cccc2)c1ccccc1)C(=O)O
  • InChi: 1S/C24H25N3O3/c1-16-15-17(2)27-23(26-16)30-21(22(28)29)24(19-11-4-3-5-12-19)20-13-7-6-9-18(20)10-8-14-25-24/h3-7,9,11-13,15,21,25H,8,10,14H2,1-2H3,(H,28,29)/t21-,24+/m1/s1
  • InChiKey: FFTXFLYVZRLOGQ-QPPBQGQZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(1S)-1-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-yl]acetic acid
  • (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(1S)-1-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-yl]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens endothelin receptor type B 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0018 0.0107 0.0237
Loa Loa (eye worm) hypothetical protein 0.02 0.23 0.5165
Schistosoma mansoni smad 0.0011 0.0025 0.005
Brugia malayi MH2 domain containing protein 0.0025 0.019 0.0444
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 1
Brugia malayi MH2 domain containing protein 0.0011 0.0025 0.0057
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0714 0.16
Loa Loa (eye worm) reprolysin 0.0018 0.0107 0.0237
Entamoeba histolytica hypothetical protein 0.0037 0.0339 0.2955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0971 0.2338
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0528 0.0526
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Loa Loa (eye worm) MH1 domain-containing protein 0.0011 0.0025 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0286 0.064
Echinococcus multilocularis geminin 0.0352 0.4141 0.4141
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0278 0.3246 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0313 0.0954
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0313 0.0954
Echinococcus granulosus adam 0.0031 0.0268 0.0644
Onchocerca volvulus 0.001 0.0012 0.0014
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0009 0.0019
Echinococcus multilocularis cpg binding protein 0.0031 0.0269 0.0268
Echinococcus multilocularis protein patched 0.0044 0.0417 0.0416
Echinococcus granulosus Smad4 0.0025 0.019 0.0456
Loa Loa (eye worm) hypothetical protein 0.0053 0.0536 0.1201
Brugia malayi Importin beta-1 subunit 0.003 0.0255 0.0594
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.292 0.6558
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0117 0.1054
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0255 0.3115
Echinococcus granulosus expressed conserved protein 0.0096 0.1044 0.2517
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0009 0.0008
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0009 0.0021
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0009 0.0008
Schistosoma mansoni hypothetical protein 0.0042 0.0398 0.0954
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0117 0.1054
Brugia malayi MH1 domain containing protein 0.0014 0.0056 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0417 0.1334
Schistosoma mansoni hypothetical protein 0.0319 0.3735 0.9019
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.026
Toxoplasma gondii ABC1 family protein 0.0035 0.0313 0.5427
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0076 0.0168
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0714 0.1716
Echinococcus granulosus protocadherin 11 0.001 0.0012 0.0027
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2589 0.7973
Leishmania major DNA polymerase kappa, putative 0.0019 0.0117 0.0644
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.045 0.1925
Echinococcus multilocularis expressed conserved protein 0.0096 0.1044 0.1042
Schistosoma mansoni Smad4 0.0011 0.0025 0.005
Loa Loa (eye worm) hypothetical protein 0.0044 0.0417 0.0935
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0313 0.073
Loa Loa (eye worm) nuclear factor I 0.0014 0.0056 0.0123
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.019 0.0456
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0286 0.0688
Schistosoma mansoni hypothetical protein 0.0042 0.0398 0.0954
Onchocerca volvulus 0.001 0.0012 0.0014
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0117 0.0946
Echinococcus granulosus importin subunit beta 1 0.003 0.0255 0.0611
Brugia malayi MH1 domain containing protein 0.0025 0.019 0.0444
Onchocerca volvulus 0.0035 0.0313 0.1326
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0117 0.0349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0971 0.2338
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0123
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0367 0.0883
Brugia malayi Disintegrin family protein 0.0018 0.0107 0.025
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0286 0.0667
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0009 0.0019
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0046 0.045 0.1008
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.019 0.0451
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0745 0.1738
Echinococcus granulosus Pleckstrin G protein interacting region 0.001 0.0009 0.0019
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0714 0.1664
Echinococcus granulosus ferritin 0.0009 0.0004 0.0006
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0117 0.0349
Brugia malayi RNA, U transporter 1 0.0086 0.0925 0.2158
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0117 0.1054
Brugia malayi mothers against decapentaplegic homolog 3 0.0011 0.0025 0.0057
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0085 0.0916 0.0914
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.001 0.0009 0.0021
Loa Loa (eye worm) hypothetical protein 0.0011 0.0025 0.0052
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0569
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0076 0.0438
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0714 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0313 0.0748
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0076 0.0438
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.001 0.0009 0.0018
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0076 0.0177
Loa Loa (eye worm) hypothetical protein 0.0049 0.0483 0.1081
Echinococcus granulosus regulator of G protein signaling 7 0.001 0.0009 0.0019
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0117 0.0116
Loa Loa (eye worm) MBCTL1 0.0053 0.0528 0.1182
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0018 0.0107 0.025
Schistosoma mansoni hypothetical protein 0.0042 0.0398 0.0954
Entamoeba histolytica hypothetical protein 0.0037 0.0339 0.2955
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0971 0.097
Loa Loa (eye worm) glutaminase 2 0.0266 0.3105 0.6974
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0076 0.0075
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0085 0.0916 0.2204
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0286 0.0688
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0714 1
Brugia malayi hypothetical protein 0.0037 0.0339 0.0791
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.0971 0.097
Brugia malayi MH2 domain containing protein 0.0025 0.019 0.0444
Brugia malayi Cell death specification protein 2 0.001 0.0012 0.0029
Loa Loa (eye worm) glutaminase 0.0266 0.3105 0.6974
Echinococcus granulosus smad 0.0025 0.019 0.0456
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0076 0.018
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Onchocerca volvulus 0.0035 0.0313 0.1326
Brugia malayi CXXC zinc finger family protein 0.003 0.0249 0.058
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0313 0.07
Mycobacterium leprae Probable lipase LipE 0.0035 0.0313 0.0954
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0076 0.1193
Schistosoma mansoni smad1 5 8 and 0.0025 0.019 0.0451
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0249 0.0556
Brugia malayi Smad1 0.0025 0.019 0.0444
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0158 0.2666
Echinococcus multilocularis ccaat enhancer binding protein delta ccaat enhancer binding protein beta 0.001 0.0012 0.0011
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1293
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0186 0.1721
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0018
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0117 0.0644
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0117 0.026
Schistosoma mansoni hypothetical protein 0.0033 0.0286 0.0682
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Mycobacterium tuberculosis Conserved protein 0.0035 0.0313 0.0954
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0483 0.6377
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.045 0.1079
Brugia malayi MH2 domain containing protein 0.0364 0.4288 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.1141 0.266
Entamoeba histolytica hypothetical protein 0.0024 0.0186 0.1567
Schistosoma mansoni smad1 5 8 and 0.0025 0.019 0.0451
Echinococcus granulosus geminin 0.0352 0.4141 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Loa Loa (eye worm) transcription factor SMAD2 0.0364 0.4288 0.9631
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0158 0.0379
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0117 0.0279
Echinococcus granulosus GPCR family 2 0.0033 0.0286 0.0688
Echinococcus multilocularis mothers against decapentaplegic 6 0.0011 0.0025 0.0023
Loa Loa (eye worm) Smad1 0.0025 0.019 0.0424
Schistosoma mansoni smad1 5 8 and 0.0025 0.019 0.0451
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0528 0.1271
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 0.3775 0.848
Brugia malayi isocitrate dehydrogenase 0.0015 0.0076 0.0177
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0117 0.0273
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0117 0.0644
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.045 0.1079
Schistosoma mansoni hypothetical protein 0.0282 0.3292 0.7947
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0313 0.0997
Schistosoma mansoni hypothetical protein 0.0071 0.0745 0.1792
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Schistosoma mansoni hypothetical protein 0.0352 0.4141 1
Brugia malayi Cell death specification protein 2 0.001 0.0012 0.0029
Echinococcus multilocularis adam 17 protease 0.018 0.2061 0.206
Onchocerca volvulus 0.001 0.0012 0.0014
Onchocerca volvulus 0.003 0.0249 0.1045
Echinococcus multilocularis disintegrin and metalloproteinase 0.0018 0.0107 0.0106
Echinococcus multilocularis ferritin 0.0009 0.0004 0.0002
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Brugia malayi hypothetical protein 0.001 0.0009 0.0021
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0313 0.0954
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0113
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.018 0.2061 0.4972
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0117 0.0365
Loa Loa (eye worm) MH2 domain-containing protein 0.0364 0.4288 0.9631
Echinococcus granulosus mothers against decapentaplegic 6 0.0011 0.0025 0.0056
Brugia malayi glutaminase DH11.1 0.0266 0.3105 0.7242
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Brugia malayi Cell death specification protein 2 0.001 0.0012 0.0029
Schistosoma mansoni dep domain containing protein 0.001 0.0009 0.0013
Echinococcus multilocularis segment polarity protein dishevelled 0.001 0.0009 0.0008
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0641
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0313 0.0753
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.001 0.0012 0.0011
Brugia malayi hypothetical protein 0.001 0.0012 0.0029
Echinococcus granulosus disintegrin and metalloproteinase 0.0018 0.0107 0.0255
Brugia malayi beta-lactamase family protein 0.0035 0.0313 0.073
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0714 0.172
Echinococcus multilocularis adam 0.0031 0.0268 0.0267
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.019 0.0189
Echinococcus granulosus segment polarity protein dishevelled 0.001 0.0009 0.0019
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1675
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0528 0.1266
Echinococcus granulosus protocadherin 11 0.001 0.0012 0.0027
Loa Loa (eye worm) MH2 domain-containing protein 0.0011 0.0025 0.0052
Brugia malayi MH1 domain containing protein 0.0025 0.019 0.0444
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.001 0.0012 0.0027
Plasmodium vivax importin-beta 2, putative 0.003 0.0255 0.0563
Schistosoma mansoni hypothetical protein 0.0352 0.4141 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0117 0.0644
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.037
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0417 0.0935
Echinococcus multilocularis smad 0.0025 0.019 0.0189
Echinococcus multilocularis protocadherin 11 0.001 0.0012 0.0011
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.045 0.1084
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.1645 0.1644
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.1141 0.256
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1137 0.2739
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.1118 0.2608
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1985 0.639
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0313 0.0954
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0186 0.0587
Schistosoma mansoni hypothetical protein 0.0037 0.0339 0.0811
Treponema pallidum hypothetical protein 0.0278 0.3246 1
Schistosoma mansoni hypothetical protein 0.0033 0.0286 0.0682
Schistosoma mansoni regulator of G protein signaling 0.001 0.0009 0.0013
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0113 0.1253 0.1251
Schistosoma mansoni ran 0.0022 0.0158 0.0374
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0278 0.3246 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0183 0.2096 0.2094
Echinococcus multilocularis GPCR, family 2 0.0033 0.0286 0.0285
Schistosoma mansoni patched 1 0.0044 0.0417 0.1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.02 0.23 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.1118 0.1117
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0117 0.0274
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0971 0.2343
Brugia malayi ADAMTS-like protease 0.0013 0.0052 0.012
Mycobacterium tuberculosis Conserved protein 0.0035 0.0313 0.0954
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0018
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0417 0.0416
Brugia malayi DIX domain containing protein 0.001 0.0009 0.0021
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0313 0.0997
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0076 0.0075
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0018 0.0107 0.0255
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0569 1
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0186 0.0587
Echinococcus multilocularis importin subunit beta 1 0.003 0.0255 0.0253
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.065 0.1562
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0117 0.0365
Schistosoma mansoni hypothetical protein 0.0042 0.0398 0.0954
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.001 0.0009 0.0013
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0339 0.0338
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0031 0.0268 0.0639
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0085 0.0916 0.2136
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0286 0.0667
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0313 0.0954
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.1878 0.816
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.0971 0.2179
Schistosoma mansoni dihydroceramide desaturase 0.0018 0.0107 0.025
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.019 0.0424
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0313 0.0954
Loa Loa (eye worm) DIX domain-containing protein 0.001 0.0009 0.0018
Toxoplasma gondii LsmAD domain-containing protein 0.0049 0.0483 0.8457
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0313 0.0954
Mycobacterium ulcerans lipase LipD 0.0035 0.0313 0.0954
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.292 0.9404
Echinococcus granulosus ccaat enhancer binding protein delta 0.001 0.0012 0.0027
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0528 0.1231
Schistosoma mansoni DNA polymerase eta 0.0019 0.0117 0.0274
Leishmania major importin beta-1 subunit, putative 0.0024 0.0186 0.1721
Echinococcus granulosus dna polymerase eta 0.0019 0.0117 0.0279
Onchocerca volvulus 0.0035 0.0313 0.1326
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0313 0.0954
Schistosoma mansoni dishevelled 0.001 0.0009 0.0013
Brugia malayi CHE-14 protein 0.0044 0.0417 0.0973
Loa Loa (eye worm) cell death specification protein 2 0.001 0.0012 0.0025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.0971 0.2343
Schistosoma mansoni smad 0.0025 0.019 0.0451
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.001 0.0009 0.0008
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0528 0.1271
Schistosoma mansoni hypothetical protein 0.0033 0.0286 0.0682
Trichomonas vaginalis esterase, putative 0.0035 0.0313 0.0997
Echinococcus multilocularis protein dispatched 1 0.005 0.0492 0.049
Echinococcus multilocularis mothers against decapentaplegic 2 0.0011 0.0025 0.0023
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0117 0.0644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0076 0.0075
Echinococcus granulosus transcriptional factor nfil3:e4bp4 0.001 0.0012 0.0027
Echinococcus multilocularis Smad4 0.0025 0.019 0.0189
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.1645 0.3969
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0156 0.0155
Echinococcus multilocularis transcriptional factor nfil3:e4bp4 0.001 0.0012 0.0011
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0117 0.0644
Brugia malayi beta-lactamase family protein 0.0035 0.0313 0.073
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0313 0.0747
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0313 0.3992
Trypanosoma cruzi PAB1-binding protein , putative 0.0049 0.0483 0.6377
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.292 0.6811
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0714 0.0712
Echinococcus granulosus dna polymerase kappa 0.0019 0.0117 0.0279
Echinococcus granulosus X box binding protein 1 0.0319 0.3735 0.9019
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0117 0.0349
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0714 1
Schistosoma mansoni dishevelled 0.001 0.0009 0.0013
Mycobacterium ulcerans glutaminase 0.0266 0.3105 0.9565
Echinococcus granulosus snurportin 1 0.0322 0.3775 0.9115
Leishmania major hypothetical protein, conserved 0.0035 0.0313 0.3717
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.019 0.0424
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0117 0.0274
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0117 0.1054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.1141 0.266
Brugia malayi ADAM-TS Spacer 1 family protein 0.0013 0.0052 0.012
Schistosoma mansoni ran 0.0022 0.0158 0.0374
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Leishmania major hypothetical protein, conserved 0.0049 0.0483 0.6377
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0076 0.0075
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.045 0.1008
Echinococcus multilocularis X box binding protein 1 0.0319 0.3735 0.3734
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0117 0.0116
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0313 0.0312
Echinococcus multilocularis expressed protein 0.0009 0.0004 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0313 0.0747
Echinococcus granulosus adam 17 protease 0.0198 0.2278 0.5498
Onchocerca volvulus 0.001 0.0012 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0313 0.3717
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Brugia malayi hypothetical protein 0.0049 0.0483 0.1126
Brugia malayi bZIP transcription factor family protein 0.001 0.0012 0.0029
Schistosoma mansoni cpg binding protein 0.003 0.0249 0.0592
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0339 0.0816
Echinococcus multilocularis snurportin 1 0.0322 0.3775 0.3774
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.045 0.0449
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.001 0.0012 0.0027
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.019 0.0189
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.045 0.0449
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0528 0.0526
Brugia malayi N-terminal motif family protein 0.02 0.23 0.5364
Brugia malayi beta-lactamase 0.0035 0.0313 0.073
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0117 0.0644
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0367 0.0366
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0117 0.0644
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0158 0.0157
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0278 0.3246 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Schistosoma mansoni z-protein (S1r protein) 0.001 0.0009 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.045 0.1084
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0255 0.4382
Schistosoma mansoni hypothetical protein 0.0322 0.3775 0.9114
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0417 0.1005
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0313 0.0954
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0004 0.5
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0278 0.3246 1
Trypanosoma brucei unspecified product 0.0019 0.0117 0.1054
Schistosoma mansoni glutaminase 0.0266 0.3105 0.7495
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.1878 0.6045
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.001 0.0012 0.0011
Loa Loa (eye worm) hypothetical protein 0.0033 0.0286 0.064
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0313 0.0997
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0313 0.0997
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0018 0.0107 0.0106
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0714 0.6342
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0158 0.1293
Echinococcus granulosus expressed protein 0.0009 0.0004 0.0006
Loa Loa (eye worm) beta-lactamase 0.0035 0.0313 0.07
Schistosoma mansoni hypothetical protein 0.0033 0.0286 0.0682
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Loa Loa (eye worm) hypothetical protein 0.0019 0.0117 0.026
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0313 0.0997
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0286 0.0285
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0076 0.0174
Plasmodium vivax ataxin-2 like protein, putative 0.0049 0.0483 0.1283
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0339 0.0811
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0483 0.1283
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0158 0.026
Brugia malayi hypothetical protein 0.0032 0.0273 0.0636
Echinococcus multilocularis regulator of G protein signaling 7 0.001 0.0009 0.0008
Leishmania major GTP-binding protein, putative 0.0022 0.0158 0.1293
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0076 0.0075
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0113
Schistosoma mansoni hypothetical protein 0.0022 0.0156 0.0368
Brugia malayi Hepatic leukemia factor 0.001 0.0012 0.0029
Brugia malayi angiogenesis inhibito 0.0013 0.0052 0.012
Brugia malayi hypothetical protein 0.001 0.0009 0.0021
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0076 0.1193
Loa Loa (eye worm) hypothetical protein 0.0053 0.0528 0.1182
Schistosoma mansoni Smad4 0.0011 0.0025 0.005
Schistosoma mansoni thyrotroph embryonic factor related 0.001 0.0012 0.0021
Loa Loa (eye worm) hypothetical protein 0.0104 0.1141 0.256
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0313 0.0954
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0313 0.3717
Loa Loa (eye worm) hypothetical protein 0.0071 0.0745 0.1671
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0113
Echinococcus multilocularis protocadherin 11 0.001 0.0012 0.0011
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0113 0.1253 0.3022
Brugia malayi hypothetical protein 0.001 0.0012 0.0029
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0018 0.0107 0.025
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.019 0.0456
Brugia malayi hypothetical protein 0.001 0.0012 0.0029
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0714 1
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0641
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.001 0.0012 0.0011
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0011 0.0025 0.0067
Trypanosoma brucei PAB1-binding protein , putative 0.0049 0.0483 0.6536
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0085 0.0916 0.2208
Plasmodium falciparum ataxin-2 like protein, putative 0.0049 0.0483 0.1283
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0117 0.0273
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0183 0.2096 0.5058
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0117 0.0349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.0971 0.2338
Echinococcus multilocularis dna polymerase eta 0.0019 0.0117 0.0116
Loa Loa (eye worm) hypothetical protein 0.0035 0.0313 0.07
Schistosoma mansoni hypothetical protein 0.001 0.0012 0.0021
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.045 0.1079
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0313 0.0954
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.0971 0.2265
Loa Loa (eye worm) hypothetical protein 0.0102 0.1118 0.2509
Schistosoma mansoni importin beta-1 0.003 0.0255 0.0606
Plasmodium falciparum importin beta, putative 0.003 0.0255 0.0563
Mycobacterium ulcerans hypothetical protein 0.0035 0.0313 0.0954
Brugia malayi hypothetical protein 0.0031 0.0268 0.0625
Schistosoma mansoni par domain protein 0.001 0.0012 0.0021
Brugia malayi MH1 domain containing protein 0.0014 0.0056 0.0131
Echinococcus granulosus mothers against decapentaplegic 2 0.0011 0.0025 0.0056
Brugia malayi mbt repeat family protein 0.0046 0.045 0.105
Brugia malayi mbt repeat family protein 0.0046 0.045 0.105
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0158 0.0353
Schistosoma mansoni hypothetical protein 0.001 0.0012 0.0021
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0417 0.1005
Onchocerca volvulus 0.0046 0.045 0.1925
Mycobacterium tuberculosis Conserved protein 0.0035 0.0313 0.0954
Entamoeba histolytica Ran family GTPase 0.0022 0.0158 0.1321
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0156 0.0374
Schistosoma mansoni transcriptional factor nfil3/e4bp4 0.001 0.0012 0.0021
Entamoeba histolytica hypothetical protein 0.0037 0.0339 0.2955
Giardia lamblia DINP protein human, muc B family 0.0019 0.0117 0.7163
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.1118 1
Loa Loa (eye worm) bZIP transcription factor family protein 0.001 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.001 0.0012 0.0025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0286 0.0285
Trichomonas vaginalis ran, putative 0.0022 0.0158 0.0499
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0255 0.3115
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1985 0.639
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0076 0.0223
Trichomonas vaginalis glutaminase, putative 0.0266 0.3105 1
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.1118 0.2697
Brugia malayi regulator of G-protein signaling egl-10 0.001 0.0009 0.0021
Entamoeba histolytica hypothetical protein 0.0037 0.0339 0.2955
Loa Loa (eye worm) hypothetical protein 0.0378 0.4452 1
Schistosoma mansoni Smad4 0.0025 0.019 0.0451
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0278 0.3246 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0117 0.1054
Echinococcus granulosus cpg binding protein 0.0031 0.0269 0.0647
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0186 0.0587

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 91.7 nM Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 91.7 nM Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 7840 nM Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756
IC50 (functional) = 7840 nM Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as radioligand ChEMBL. 15139756

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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