Detailed information for compound 1183854

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.926 | Formula: C23H27ClN2O2
  • H donors: 3 H acceptors: 1 LogP: 5.14 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H](COc1ccccc1)CNCCc1ccc(cc1)Nc1ccccc1.Cl
  • InChi: 1S/C23H26N2O2.ClH/c26-22(18-27-23-9-5-2-6-10-23)17-24-16-15-19-11-13-21(14-12-19)25-20-7-3-1-4-8-20;/h1-14,22,24-26H,15-18H2;1H/t22-;/m0./s1
  • InChiKey: JDDBFLDPVCNEHW-FTBISJDPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL References
Homo sapiens adrenoceptor beta 1 Starlite/ChEMBL References
Homo sapiens adrenoceptor beta 3 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
Echinococcus multilocularis GPCR, family 2 0.0295 0.1896 0.4141
Brugia malayi jmjC domain containing protein 0.0093 0.0522 0.0595
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0161 0.0332
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0161 0.0108
Echinococcus granulosus GPCR family 2 0.0295 0.1896 0.4141
Mycobacterium tuberculosis Probable hydrolase 0.0151 0.0916 0.1273
Brugia malayi MH1 domain containing protein 0.0032 0.011 0.0125
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0151 0.0916 0.1273
Echinococcus multilocularis beta LACTamase domain containing family member 0.0151 0.0916 0.1989
Trypanosoma brucei unspecified product 0.0027 0.0077 0.074
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0323 0.0707
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0055 0.0265 0.058
Schistosoma mansoni smad1 5 8 and 0.0058 0.0287 0.0629
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0916 0.0867
Brugia malayi hypothetical protein 0.0065 0.0331 0.0377
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0161 0.0082
Loa Loa (eye worm) hypothetical protein 0.0063 0.0317 0.0286
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0109 0.0218
Echinococcus granulosus Smad4 0.0058 0.0287 0.0608
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0187 0.1164 0.2534
Plasmodium falciparum phd finger protein, putative 0.0028 0.0083 0.1292
Loa Loa (eye worm) hypothetical protein 0.0295 0.1896 0.21
Brugia malayi Beta-glucuronidase precursor 0.0104 0.0596 0.0679
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0083 0.016
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0217 0.1366 0.2978
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0083 0.0182
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0109 0.0218
Echinococcus granulosus dna polymerase eta 0.004 0.0161 0.0332
Onchocerca volvulus 0.0151 0.0916 0.0854
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0161 0.167
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.018 0.1117 0.2431
Schistosoma mansoni hypothetical protein 0.0295 0.1896 0.4154
Echinococcus granulosus dna polymerase kappa 0.004 0.0161 0.0332
Mycobacterium tuberculosis Conserved protein 0.0151 0.0916 0.1273
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0092 0.0906
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0151 0.0916 0.5283
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0161 0.0184
Brugia malayi Calcitonin receptor-like protein seb-1 0.0932 0.6229 0.7101
Schistosoma mansoni hypothetical protein 0.0045 0.0197 0.0431
Giardia lamblia DINP protein human, muc B family 0.004 0.0161 1
Brugia malayi MH2 domain containing protein 0.0026 0.0067 0.0077
Plasmodium vivax hypothetical protein, conserved 0.0151 0.0916 0.7847
Brugia malayi RNA binding protein 0.0064 0.0323 0.0368
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0245 0.0203
Plasmodium vivax SET domain protein, putative 0.0187 0.1164 1
Brugia malayi MH2 domain containing protein 0.0856 0.5715 0.6514
Toxoplasma gondii ABC1 family protein 0.0151 0.0916 0.7847
Echinococcus multilocularis smad 0.0058 0.0287 0.0608
Echinococcus granulosus histone acetyltransferase MYST2 0.0063 0.0317 0.0673
Echinococcus granulosus mothers against decapentaplegic 6 0.0026 0.0067 0.0126
Schistosoma mansoni hypothetical protein 0.0303 0.1954 0.4281
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0123 0.0249
Entamoeba histolytica beta-galactosidase, putative 0.0216 0.136 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0171 0.0354
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0245 0.0279
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0847 0.1838
Brugia malayi glutaminase DH11.1 0.027 0.1724 0.1965
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Entamoeba histolytica hypothetical protein 0.0024 0.0054 0.0324
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0161 0.0354
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0323 0.0293
Brugia malayi hypothetical protein 0.01 0.0573 0.0653
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0151 0.0916 0.1273
Brugia malayi latrophilin 2 splice variant baaae 0.0637 0.4224 0.4814
Echinococcus granulosus TGF beta signal transducer SmadC 0.0058 0.0287 0.0608
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0288 0.0254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0245 0.0515
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0123 0.0249
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0916 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0187 0.1164 0.2551
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0148 0.9127
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0932 0.6229 0.7101
Trichomonas vaginalis conserved hypothetical protein 0.032 0.2066 0.2023
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0245 0.0515
Echinococcus multilocularis mothers against decapentaplegic 2 0.0026 0.0067 0.0126
Echinococcus multilocularis peregrin 0.0032 0.0106 0.0211
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0063 0.0317 0.0361
Echinococcus granulosus tar DNA binding protein 0.0064 0.0323 0.0687
Mycobacterium ulcerans glutaminase 0.027 0.1724 1
Brugia malayi Bromodomain containing protein 0.0032 0.0106 0.0121
Plasmodium vivax ataxin-2 like protein, putative 0.01 0.0573 0.488
Brugia malayi MH2 domain containing protein 0.0058 0.0287 0.0327
Brugia malayi Importin beta-1 subunit 0.003 0.0092 0.0105
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0109 0.0861
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0522 0.1123
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1305 0.8773 1
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0265 0.058
Trypanosoma brucei unspecified product 0.0027 0.0077 0.074
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0161 0.167
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0083 0.0631
Schistosoma mansoni hypothetical protein 0.0335 0.2167 0.4748
Plasmodium falciparum ataxin-2 like protein, putative 0.01 0.0573 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0295 0.1896 0.2161
Brugia malayi beta-lactamase family protein 0.0151 0.0916 0.1044
Loa Loa (eye worm) acetyltransferase 0.0141 0.0847 0.0895
Echinococcus multilocularis polycomb protein SCMH1 0.0055 0.0265 0.0559
Trichomonas vaginalis beta-galactosidase, putative 0.032 0.2066 0.2023
Toxoplasma gondii isocitrate dehydrogenase 0.0032 0.0109 0.0861
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0197 0.0409
Leishmania major DNA polymerase kappa, putative 0.004 0.0161 0.167
Echinococcus multilocularis mothers against decapentaplegic 6 0.0026 0.0067 0.0126
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0109 0.1097
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Brugia malayi beta-lactamase 0.0151 0.0916 0.1044
Loa Loa (eye worm) hypothetical protein 0.0032 0.011 0.0048
Loa Loa (eye worm) MH1 domain-containing protein 0.0058 0.0287 0.0252
Trypanosoma cruzi PAB1-binding protein , putative 0.01 0.0573 0.6218
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Loa Loa (eye worm) hypothetical protein 0.0187 0.1164 0.126
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0109 0.0125
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0161 0.0354
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0161 0.0882
Echinococcus multilocularis importin subunit beta 1 0.003 0.0092 0.018
Schistosoma mansoni smad1 5 8 and 0.0058 0.0287 0.0629
Onchocerca volvulus 0.0298 0.1918 0.1863
Trypanosoma brucei unspecified product 0.004 0.0161 0.167
Brugia malayi MH1 domain containing protein 0.0058 0.0287 0.0327
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Brugia malayi MH1 domain containing protein 0.0058 0.0287 0.0327
Brugia malayi Latrophilin receptor protein 2 0.0295 0.1896 0.2161
Loa Loa (eye worm) Smad1 0.0058 0.0287 0.0252
Brugia malayi Smad1 0.0058 0.0287 0.0327
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0058 0.0287 0.0608
Echinococcus multilocularis histone acetyltransferase MYST2 0.0063 0.0317 0.0673
Brugia malayi MH1 domain containing protein 0.0032 0.011 0.0125
Mycobacterium tuberculosis Probable lipase LipD 0.0151 0.0916 0.1273
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0963 0.6443 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0058 0.0287 0.0608
Leishmania major hypothetical protein, conserved 0.01 0.0573 0.6218
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0077 0.074
Echinococcus multilocularis Smad4 0.0058 0.0287 0.0608
Brugia malayi N-terminal motif family protein 0.0178 0.1103 0.1257
Brugia malayi MH2 domain containing protein 0.0058 0.0287 0.0327
Schistosoma mansoni DNA polymerase eta 0.004 0.0161 0.0354
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0171 0.1398
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0151 0.0916 0.1044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0295 0.1896 0.4141
Loa Loa (eye worm) beta-glucuronidase 0.0104 0.0596 0.0607
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0295 0.1896 0.4141
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0123 0.0271
Brugia malayi mothers against decapentaplegic homolog 3 0.0026 0.0067 0.0077
Mycobacterium leprae Probable lipase LipE 0.0151 0.0916 0.5
Brugia malayi beta-lactamase family protein 0.0151 0.0916 0.1044
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0148 0.2449
Mycobacterium leprae conserved hypothetical protein 0.0151 0.0916 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0187 0.1164 1
Schistosoma mansoni beta-mannosidase 0.0104 0.0596 0.1305
Brugia malayi jmjC domain containing protein 0.0034 0.0123 0.0141
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.082 0.1779
Toxoplasma gondii LsmAD domain-containing protein 0.01 0.0573 0.488
Loa Loa (eye worm) hypothetical protein 0.0298 0.1918 0.2125
Echinococcus granulosus peregrin 0.0032 0.0106 0.0211
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0054 0.0484
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0083 0.0631
Mycobacterium ulcerans esterase/lipase LipP 0.0151 0.0916 0.5283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0151 0.0916 0.2007
Onchocerca volvulus 0.0151 0.0916 0.0854
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0109 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0323 0.0687
Loa Loa (eye worm) MBCTL1 0.0063 0.0317 0.0286
Schistosoma mansoni hypothetical protein 0.0317 0.2047 0.4485
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0161 0.0332
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0063 0.0317 0.0673
Echinococcus granulosus geminin 0.0687 0.4564 1
Brugia malayi hypothetical protein 0.0298 0.1918 0.2186
Echinococcus granulosus SAM and MBT domain containing protein 0.0055 0.0265 0.0559
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0916 0.0867
Schistosoma mansoni myelin transcription factor 1 myt1 0.0063 0.0317 0.0694
Plasmodium vivax importin-beta 2, putative 0.003 0.0092 0.0711
Loa Loa (eye worm) MH2 domain-containing protein 0.0058 0.0287 0.0252
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0083 0.0631
Echinococcus multilocularis geminin 0.0687 0.4564 1
Loa Loa (eye worm) mbt repeat family protein 0.0055 0.0265 0.0227
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0217 0.1366 0.2978
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0522 0.1123
Echinococcus multilocularis SAM and MBT domain containing protein 0.0055 0.0265 0.0559
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0161 0.167
Loa Loa (eye worm) hypothetical protein 0.0932 0.6229 0.7078
Echinococcus granulosus beta LACTamase domain containing family member 0.0151 0.0916 0.1989
Trichomonas vaginalis D-aminoacylase, putative 0.0151 0.0916 0.0867
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0032 0.0109 0.1097
Brugia malayi manba-prov protein 0.0104 0.0596 0.0679
Echinococcus granulosus smad 0.0058 0.0287 0.0608
Brugia malayi Pre-SET motif family protein 0.0187 0.1164 0.1327
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0187 0.1164 0.2551
Mycobacterium tuberculosis Conserved protein 0.0151 0.0916 0.1273
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0197 0.0409
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0112 0.0655 0.0674
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0171 0.1398
Mycobacterium tuberculosis Conserved protein 0.0151 0.0916 0.1273
Loa Loa (eye worm) hypothetical protein 0.0028 0.0083 0.0018
Trypanosoma cruzi PAB1-binding protein , putative 0.01 0.0573 0.6218
Trypanosoma brucei DNA polymerase eta, putative 0.004 0.0161 0.167
Onchocerca volvulus 0.0151 0.0916 0.0854
Mycobacterium ulcerans hypothetical protein 0.0151 0.0916 0.5283
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0109 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0077 0.074
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0323 0.0707
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0323 0.0368
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0018 0.001 0.0022
Loa Loa (eye worm) transcription factor SMAD2 0.0856 0.5715 0.6487
Trypanosoma cruzi hypothetical protein, conserved 0.0151 0.0916 1
Giardia lamblia PHD finger protein 15 0.0028 0.0083 0.4859
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0245 0.0536
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0032 0.0109 0.0861
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0092 0.0711
Echinococcus multilocularis mothers against decapentaplegic 5 0.0058 0.0287 0.0608
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0109 0.0218
Brugia malayi mbt repeat family protein 0.0055 0.0265 0.0302
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0392 0.0858
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0161 0.0882
Loa Loa (eye worm) glutaminase 2 0.027 0.1724 0.1903
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0178 0.1103 0.1043
Trichomonas vaginalis penicillin-binding protein, putative 0.0151 0.0916 0.0867
Mycobacterium tuberculosis Probable lipase LipE 0.0151 0.0916 0.1273
Trypanosoma cruzi DNA polymerase eta, putative 0.004 0.0161 0.167
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0161 0.167
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0123 0.0064
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0158 0.0326
Schistosoma mansoni glutaminase 0.027 0.1724 0.3778
Loa Loa (eye worm) MH2 domain-containing protein 0.0856 0.5715 0.6487
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0151 0.0916 0.0974
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0847 0.0965
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0032 0.0109 0.1097
Echinococcus multilocularis snurportin 1 0.0317 0.2047 0.4473
Loa Loa (eye worm) hypothetical protein 0.01 0.0573 0.0581
Schistosoma mansoni hypothetical protein 0.0687 0.4564 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0055 0.0265 0.0199
Schistosoma mansoni hypothetical protein 0.0028 0.0083 0.0182
Loa Loa (eye worm) beta-lactamase 0.0151 0.0916 0.0974
Schistosoma mansoni hypothetical protein 0.0295 0.1896 0.4154
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0109 0.024
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0109 0.0218
Echinococcus granulosus mothers against decapentaplegic 2 0.0026 0.0067 0.0126
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.2047 0.2274
Echinococcus multilocularis dna polymerase eta 0.004 0.0161 0.0332
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0077 0.074
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0161 0.167
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0323 0.0707
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0161 0.112
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0123 0.0271
Schistosoma mansoni importin beta-1 0.003 0.0092 0.0202
Loa Loa (eye worm) hypothetical protein 0.0049 0.0221 0.0176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0245 0.0536
Brugia malayi RNA, U transporter 1 0.0084 0.0465 0.053
Schistosoma mansoni smad 0.0058 0.0287 0.0629
Loa Loa (eye worm) hypothetical protein 0.0178 0.1103 0.1189
Loa Loa (eye worm) glutaminase 0.027 0.1724 0.1903
Schistosoma mansoni hypothetical protein 0.0637 0.4224 0.9254
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0161 0.167
Trichomonas vaginalis esterase, putative 0.0151 0.0916 0.0867
Echinococcus granulosus importin subunit beta 1 0.003 0.0092 0.018
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0171 0.0118
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0187 0.1164 0.2551
Brugia malayi Pre-SET motif family protein 0.1305 0.8773 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0245 0.0515
Mycobacterium ulcerans lipase LipD 0.0151 0.0916 0.5283
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0847 0.1856
Leishmania major DNA polymerase eta, putative 0.004 0.0161 0.167
Trichomonas vaginalis glutaminase, putative 0.027 0.1724 0.1679
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Schistosoma mansoni Smad4 0.0026 0.0067 0.0148
Plasmodium falciparum importin beta, putative 0.003 0.0092 0.1456
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0112 0.0655 0.0746
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0295 0.1896 0.4141
Echinococcus multilocularis dna polymerase kappa 0.004 0.0161 0.0332
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0295 0.1896 0.4141
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0058 0.0287 0.0629
Brugia malayi TAR-binding protein 0.0064 0.0323 0.0368
Brugia malayi PHD-finger family protein 0.0028 0.0083 0.0095
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0161 0.167
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0148 0.1022
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0083 0.016
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0161 0.167
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0083 0.0018
Loa Loa (eye worm) RNA binding protein 0.0064 0.0323 0.0293
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 0.0974
Brugia malayi mbt repeat family protein 0.0055 0.0265 0.0302
Trypanosoma brucei PAB1-binding protein , putative 0.01 0.0573 0.6218
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0161 0.0082
Plasmodium falciparum ataxin-2 like protein, putative 0.01 0.0573 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0187 0.1164 0.2551
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0245 0.0536
Mycobacterium ulcerans beta-lactamase 0.0151 0.0916 0.5283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0151 0.0916 0.2007
Loa Loa (eye worm) hypothetical protein 0.003 0.0092 0.0028
Schistosoma mansoni smad 0.0026 0.0067 0.0148
Loa Loa (eye worm) nuclear factor I 0.0032 0.011 0.0048
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0161 0.0184
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0151 0.0916 0.1273
Schistosoma mansoni Smad4 0.0026 0.0067 0.0148
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0109 0.1097
Schistosoma mansoni hypothetical protein 0.0295 0.1896 0.4154
Schistosoma mansoni Smad4 0.0058 0.0287 0.0629
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0032 0.0109 0.1764
Loa Loa (eye worm) hypothetical protein 0.0637 0.4224 0.4774
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0032 0.0109 0.1097
Echinococcus granulosus histone lysine methyltransferase setb 0.0187 0.1164 0.2534
Trypanosoma brucei hypothetical protein, conserved 0.0151 0.0916 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0151 0.0916 0.0867
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Brugia malayi isocitrate dehydrogenase 0.0032 0.0109 0.0125
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0323 0.0707
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0245 0.0515
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0063 0.0317 0.0673
Schistosoma mansoni hypothetical protein 0.0295 0.1896 0.4154
Onchocerca volvulus 0.0055 0.0265 0.0199
Schistosoma mansoni hypothetical protein 0.0687 0.4564 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0511 0.3365 0.3329
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0932 0.6229 0.7078
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0171 0.1398
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0109 0.0048
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0161 0.0108
Onchocerca volvulus 0.0187 0.1164 0.1104
Trichomonas vaginalis beta-mannosidase, putative 0.0104 0.0596 0.0545
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0323 0.0293
Leishmania major importin beta-1 subunit, putative 0.0024 0.0054 0.0484
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0158 0.0326
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0161 0.0108
Schistosoma mansoni smad1 5 8 and 0.0058 0.0287 0.0629
Loa Loa (eye worm) hypothetical protein 0.0055 0.0265 0.0227
Schistosoma mansoni sex comb on midleg homolog 0.0055 0.0265 0.058
Loa Loa (eye worm) latrophilin receptor protein 2 0.0295 0.1896 0.21
Echinococcus granulosus polycomb protein SCMH1 0.0055 0.0265 0.0559
Echinococcus granulosus snurportin 1 0.0317 0.2047 0.4473
Onchocerca volvulus Alhambra homolog 0.0028 0.0083 0.0016
Mycobacterium tuberculosis Probable esterase LipL 0.0151 0.0916 0.1273
Loa Loa (eye worm) hypothetical protein 0.004 0.0161 0.0108
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0092 0.0906
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0323 0.0707
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0187 0.1164 0.2534
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0171 0.0118
Leishmania major hypothetical protein, conserved 0.0151 0.0916 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0161 0.167

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0 uM Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol ChEMBL. 19581100
EC50 (functional) = 0.01 uM Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol ChEMBL. 19581100
EC50 (functional) = 0.31 uM Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay relative to isoproterenol ChEMBL. 19581100
EC50 (functional) = 12 uM Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay ChEMBL. 19581100
EC50 (functional) > 100 uM Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay ChEMBL. 19581100
EC50 (functional) > 100 uM Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassay ChEMBL. 19581100

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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