Detailed information for compound 166612

Basic information

Technical information
  • TDR Targets ID: 166612
  • Name: [(6R,7R)-2-chloro-10-(dimethylaminomethyl)-6- (4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1 ,5]benzothiazepin-7-yl] acetate
  • MW: 456.985 | Formula: C24H25ClN2O3S
  • H donors: 0 H acceptors: 1 LogP: 4.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@H]1Sc2ccc(cc2n2c([C@H]1OC(=O)C)ccc2CN(C)C)Cl
  • InChi: 1S/C24H25ClN2O3S/c1-15(28)30-23-20-11-8-18(14-26(2)3)27(20)21-13-17(25)7-12-22(21)31-24(23)16-5-9-19(29-4)10-6-16/h5-13,23-24H,14H2,1-4H3/t23-,24-/m1/s1
  • InChiKey: VEDSMTGXXDIVMG-DNQXCXABSA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid [(6R,7R)-2-chloro-10-(dimethylaminomethyl)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester
  • [(6R,7R)-2-chloro-10-(dimethylaminomethyl)-6-(4-methoxyphenyl)-6,7-dihydropyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ethanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Voltage-gated L-type calcium channel 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
Trypanosoma cruzi DNA polymerase eta, putative 0.0014 0.0121 0.0135
Loa Loa (eye worm) voltage-gated potassium channel 0.0012 0.0083 0.0117
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0078 0.1713 0.5798
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0012 0.0083 0.0081
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0121 0.0135
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Brugia malayi hypothetical protein 0.0009 0.0003 0.0004
Mycobacterium ulcerans DNA polymerase IV 0.0126 0.2895 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0287 0.6882 1
Onchocerca volvulus 0.0029 0.0498 0.1156
Brugia malayi Cyclic-nucleotide gated cation channel 0.0016 0.0181 0.0263
Loa Loa (eye worm) hypothetical protein 0.0062 0.1328 0.1926
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0515 0.2992
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0078 0.1713 1
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0012 0.0083 0.0121
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0043 0.0059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0016 0.0181 0.0178
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Brugia malayi cation channel family protein 0.0012 0.0083 0.0121
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0043 0.004
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0012 0.0083 0.0081
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.027 0.0535
Schistosoma mansoni transient receptor potential channel 0.0012 0.0083 0.0081
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0515 0.5
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0012 0.0083 0.0081
Echinococcus granulosus potassium voltage gated channel protein 0.0012 0.0083 0.0081
Trypanosoma cruzi DNA damage repair protein, putative 0.0014 0.0121 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.1379 0.4607
Echinococcus granulosus protein C ets 2 0.0011 0.0043 0.004
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0062 0.1316 0.1912
Echinococcus granulosus segment polarity protein dishevelled 0.0012 0.007 0.0067
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0012 0.0083 0.0471
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Trypanosoma brucei unspecified product 0.0031 0.0538 0.1616
Loa Loa (eye worm) phosphofructokinase 0.011 0.2497 0.3625
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Leishmania major DNA polymerase kappa, putative 0.0014 0.0121 0.0158
Brugia malayi Transient-receptor-potential like protein 0.0012 0.0083 0.0121
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0012 0.0083 0.0081
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Echinococcus granulosus ryanodine receptor 44f 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0181 0.0178
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0181 0.0178
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0043 0.004
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0059
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0012 0.0083 0.0121
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0287 0.6882 0.6881
Brugia malayi DIX domain containing protein 0.0012 0.007 0.0102
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0012 0.0083 0.0471
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0287 0.6882 0.6881
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0016 0.0181 0.0263
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0281 0.005
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2497 0.8533
Echinococcus granulosus potassium voltage gated channel protein 0.0012 0.0083 0.0081
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0065 0.1379 0.5367
Trypanosoma brucei DNA polymerase kappa, putative 0.0051 0.1038 0.3395
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.027 0.0392
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0016 0.0181 0.0263
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0287 0.6882 0.6881
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0043 0.0059
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0177 0.4158 0.4157
Echinococcus multilocularis cpg binding protein 0.0031 0.0539 0.0537
Echinococcus granulosus two pore calcium channel protein 2 0.0012 0.0083 0.0081
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0181 0.0178
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0181 0.0178
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0016 0.0181 0.0178
Echinococcus granulosus dna polymerase eta 0.0044 0.0878 0.0876
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0016 0.0181 0.0178
Loa Loa (eye worm) hypothetical protein 0.0016 0.0181 0.0259
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0016 0.0181 0.0178
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0878 0.1276
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0073 0.159 0.2307
Echinococcus multilocularis dnaJ subfamily B 0.0413 1 1
Echinococcus granulosus amyloid beta A4 protein 0.0069 0.1497 0.1494
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0078 0.1713 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni hypothetical protein 0.0011 0.0043 0.004
Echinococcus multilocularis segment polarity protein dishevelled 0.0012 0.007 0.0067
Brugia malayi N-terminal motif family protein 0.0182 0.4291 0.6235
Schistosoma mansoni cpg binding protein 0.0029 0.0498 0.0496
Loa Loa (eye worm) hypothetical protein 0.0046 0.0929 0.1346
Echinococcus granulosus calcium activated potassium channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0059 0.1231 0.1786
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0287 0.6882 0.6881
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0078 0.1713 0.6482
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0016 0.0181 0.0178
Schistosoma mansoni gabp alpha 0.0073 0.159 0.1588
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0012 0.0083 0.0081
Brugia malayi CXXC zinc finger family protein 0.0029 0.0498 0.0724
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.2497 0.8565
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0043 0.0059
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0067 0.143 0.2074
Brugia malayi cation channel family protein 0.0012 0.0083 0.0121
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0078 0.1713 0.5798
Schistosoma mansoni ets-related 0.0011 0.0043 0.004
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0012 0.0083 0.0121
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0287 0.6882 0.6881
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0287 0.6882 0.6881
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0012 0.0083 0.0081
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0012 0.0083 0.0081
Loa Loa (eye worm) RasGEF domain-containing protein 0.0009 0.0006 0.0005
Toxoplasma gondii hypothetical protein 0.0046 0.0929 0.5412
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2497 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.4291 1
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0012 0.0083 0.0121
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.2497 0.2494
Schistosoma mansoni 60S ribosomal protein L21 0.0012 0.0083 0.0081
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2497 0.3625
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0051 0.1038 0.3395
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0078 0.1713 0.2486
Echinococcus multilocularis amyloid beta A4 protein 0.0069 0.1497 0.1494
Echinococcus multilocularis sodium channel protein 0.0051 0.1041 0.1039
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0043 0.004
Brugia malayi hypothetical protein 0.0012 0.0083 0.0121
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0012 0.0083 0.0121
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus granulosus potassium voltage gated channel protein 0.0012 0.0083 0.0081
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0121 0.0694
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0012 0.0083 0.0081
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.0878 0.2732
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0016 0.0181 0.0178
Echinococcus multilocularis segment polarity protein dishevelled 0.0012 0.007 0.0067
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0003 0.00000095306
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0012 0.0083 0.0081
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase IV, putative 0.0126 0.2895 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0051 0.1038 0.3395
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0043 0.004
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0097 0.2189 0.749
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0287 0.6882 0.6881
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0003 0.0004
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Echinococcus multilocularis hyperpolarization activated cyclic 0.0016 0.0181 0.0178
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.027 0.0933
Schistosoma mansoni ap endonuclease 0.002 0.027 0.0267
Echinococcus granulosus TRP transient receptor potential channel 0.0012 0.0083 0.0081
Echinococcus granulosus 6 phosphofructokinase 0.011 0.2497 0.2494
Echinococcus granulosus hyperpolarization activated cyclic 0.0016 0.0181 0.0178
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2497 0.8533
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0515 0.1098
Echinococcus multilocularis two pore calcium channel protein 2 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Schistosoma mansoni cpg binding protein 0.0031 0.0539 0.0537
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0287 0.6882 0.6881
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.027 0.0663
Echinococcus multilocularis dna polymerase eta 0.0044 0.0878 0.0876
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0012 0.0083 0.0081
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.2497 1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0012 0.0083 0.0081
Echinococcus granulosus cpg binding protein 0.0031 0.0539 0.0537
Schistosoma mansoni transient receptor potential channel 4 0.0012 0.0083 0.0081
Echinococcus granulosus potassium large conductance calcium activated 0.0012 0.0083 0.0081
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.027 0.0388
Echinococcus granulosus shaker cognate 0.0012 0.0083 0.0081
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0515 0.5
Echinococcus granulosus transient receptor potential gamma protein 0.0012 0.0083 0.0081
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0044 0.0878 0.0876
Loa Loa (eye worm) DIX domain-containing protein 0.0012 0.007 0.0098
Toxoplasma gondii transporter, cation channel family protein 0.0059 0.1231 0.7181
Brugia malayi Ets-domain containing protein 0.0073 0.159 0.2311
Loa Loa (eye worm) fli-1 protein 0.0222 0.5274 0.7662
Brugia malayi polk-prov protein 0.0095 0.2138 0.3106
Leishmania major DNA polymerase eta, putative 0.0044 0.0878 0.3294
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Loa Loa (eye worm) voltage-gated potassium channel 0.0012 0.0083 0.0117
Echinococcus granulosus nuclear factor of activated T cells 5 0.0177 0.4158 0.4157
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0051 0.1041 0.1039
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2497 0.8584
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0515 0.2469
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0126 0.2895 1
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2497 0.2494
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0044 0.0878 0.0876
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0078 0.1713 0.5798
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0181 0.0178
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0016 0.0181 0.0178
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0515 0.2469
Trypanosoma brucei chrX additional, unordered contigs 0.0014 0.0121 0.0135
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0043 0.004
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.027 0.0933
Echinococcus multilocularis voltage gated potassium channel 0.0016 0.0181 0.0178
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0181 0.0178
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0078 0.1713 0.1711
Giardia lamblia DINP protein human, muc B family 0.0065 0.1379 1
Schistosoma mansoni two-pore calcium channel 0.0012 0.0083 0.0081
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0083 0.0081
Leishmania major DNA polymerase kappa, putative 0.0065 0.1379 0.5367
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0044 0.0878 0.0876
Echinococcus multilocularis voltage dependent calcium channel 0.0287 0.6882 0.6881
Brugia malayi 6-phosphofructokinase 0.011 0.2497 0.3628
Toxoplasma gondii hypothetical protein 0.0012 0.0083 0.0471
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0012 0.0083 0.0081
Echinococcus granulosus voltage dependent calcium channel 0.0059 0.1231 0.1229
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0016 0.0181 0.0178
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1303 0.13
Brugia malayi RasGEF domain containing protein 0.0009 0.0006 0.0009
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Leishmania major DNA polymerase eta, putative 0.0014 0.0121 0.0158
Echinococcus granulosus voltage gated hydrogen channel 1 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0121 0.0135
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.027 0.0663
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0012 0.0083 0.0081
Schistosoma mansoni elf1 0.0011 0.0043 0.004
Echinococcus granulosus short transient receptor potential channel 6 0.0012 0.0083 0.0081
Echinococcus granulosus transient receptor potential cation channel 0.0012 0.0083 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0121 0.0135
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0012 0.0083 0.0121
Echinococcus multilocularis conserved hypothetical protein 0.0012 0.0083 0.0081
Schistosoma mansoni terminal deoxycytidyl transferase 0.0044 0.0878 0.0876
Echinococcus granulosus potassium voltage gated channel protein 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.2138 0.7308
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0515 0.2992
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Trichomonas vaginalis DNA polymerase eta, putative 0.0126 0.2895 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2497 1
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.2138 0.7308
Echinococcus multilocularis short transient receptor potential channel 6 0.0012 0.0083 0.0081
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0078 0.1713 0.2489
Brugia malayi transcription factor E74 isoform 0.0011 0.0043 0.0063
Schistosoma mansoni hypothetical protein 0.0012 0.0083 0.0081
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0012 0.0083 0.0121
Schistosoma mansoni DNA polymerase eta 0.0044 0.0878 0.0876
Loa Loa (eye worm) hypothetical protein 0.0095 0.2138 0.3103
Schistosoma mansoni voltage-gated cation channel 0.0287 0.6882 0.6881
Trichomonas vaginalis ap endonuclease, putative 0.002 0.027 0.0329
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0016 0.0181 0.0178
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0012 0.0083 0.0121
Loa Loa (eye worm) ion channel NompC 0.0012 0.0083 0.0117
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0012 0.0083 0.0081
Echinococcus multilocularis transfer RNA-Gly 0.0012 0.0083 0.0081
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0078 0.1713 0.5647
Schistosoma mansoni transient receptor potential channel 0.0012 0.0083 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2497 0.8533
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.2895 1
Schistosoma mansoni calcium-activated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2497 0.2494
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0043 0.004
Echinococcus granulosus dna polymerase kappa 0.0126 0.2895 0.2893
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Trypanosoma brucei unspecified product 0.0031 0.0538 0.1616
Schistosoma mansoni ap endonuclease 0.002 0.027 0.0267
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0016 0.0181 0.0259
Brugia malayi hypothetical protein 0.0067 0.143 0.2078
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0012 0.0083 0.0081
Schistosoma mansoni ryanodine receptor related 0.0012 0.0083 0.0081
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.2895 1
Echinococcus granulosus sodium leak channel non selective protein 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0016 0.0181 0.0178
Schistosoma mansoni dishevelled 0.0012 0.007 0.0067
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2497 1
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0515 0.2469
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0016 0.0181 0.0178
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0043 0.004
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni ets-related 0.0222 0.5274 0.5272
Schistosoma mansoni dishevelled 0.0012 0.007 0.0067
Echinococcus multilocularis ets variant gene 4 0.0011 0.0043 0.004
Loa Loa (eye worm) X11 protein 0.0069 0.1497 0.2172
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.027 0.5
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0515 0.1098
Trypanosoma brucei DNA damage repair protein, putative 0.0014 0.0121 0.0135
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.2497 0.5
Echinococcus multilocularis protein C ets 2 0.0011 0.0043 0.004
Schistosoma mansoni ets 0.0011 0.0043 0.004
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.027 0.0267
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0012 0.0083 0.0188
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0043 0.0059
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0044 0.0878 0.1273
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0078 0.1713 1
Echinococcus multilocularis potassium large conductance calcium activated 0.0012 0.0083 0.0081
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0016 0.0181 0.0259
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0043 0.004
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0878 0.2828
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) ryanodine receptor 0.0012 0.0083 0.0117
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0043 0.004
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Brugia malayi 6-phosphofructokinase 0.011 0.2497 0.3628
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus multilocularis two pore calcium channel protein 1 0.0012 0.0083 0.0081
Onchocerca volvulus 0.0012 0.0083 0.0188
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0003 0.0000013851
Loa Loa (eye worm) voltage-dependent calcium channel 0.0059 0.1231 0.1786
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0003 0.0004
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0121 0.0135
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0083 0.0081
Schistosoma mansoni hypothetical protein 0.0413 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0929 0.1346
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0012 0.007 0.0102
Loa Loa (eye worm) hypothetical protein 0.0016 0.0181 0.0259
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0016 0.0181 0.0259
Brugia malayi hypothetical protein 0.0009 0.0003 0.0004
Entamoeba histolytica deoxycytidyl transferase, putative 0.0044 0.0878 0.2732
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Schistosoma mansoni DNA polymerase IV / kappa 0.0014 0.0121 0.0119
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0043 0.004
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0012 0.0083 0.0081
Brugia malayi Fli-1 protein 0.0222 0.5274 0.7663
Brugia malayi Ets-domain containing protein 0.0011 0.0043 0.0063
Toxoplasma gondii transporter, cation channel family protein 0.0012 0.0083 0.0471
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus granulosus sodium channel protein 0.0012 0.0083 0.0081
Trichomonas vaginalis ap endonuclease, putative 0.002 0.027 0.0329
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0181 0.0178
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0515 0.3127
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0078 0.1713 0.6754
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.027 0.1181
Echinococcus multilocularis ryanodine receptor 44f 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Echinococcus multilocularis GA binding protein alpha chain 0.0073 0.159 0.1588
Echinococcus granulosus potassium voltage gated channel protein 0.0012 0.0083 0.0081
Brugia malayi phosphofructokinase 0.011 0.2497 0.3628
Echinococcus granulosus segment polarity protein dishevelled 0.0012 0.007 0.0067
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.027 0.0773
Brugia malayi Ets-domain containing protein 0.0073 0.159 0.2311
Loa Loa (eye worm) hypothetical protein 0.0044 0.0878 0.1273
Echinococcus granulosus short transient receptor potential channel 6 0.0012 0.0083 0.0081
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0016 0.0181 0.0178
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0012 0.0083 0.0121
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.2895 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2497 0.8533
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0515 0.123
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0078 0.1713 0.5647
Echinococcus multilocularis potassium voltage gated channel protein 0.0012 0.0083 0.0081
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0078 0.1713 0.1711
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0043 0.004
Toxoplasma gondii transporter, cation channel family protein 0.0012 0.0083 0.0471
Echinococcus multilocularis voltage dependent calcium channel 0.0287 0.6882 0.6881
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0034 0.0622 0.3618
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0065 0.1379 0.4979
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0043 0.004
Echinococcus granulosus hypothetical protein 0.0012 0.0083 0.0081
Echinococcus multilocularis calcium activated potassium channel 0.0012 0.0083 0.0081
Leishmania major ATP-dependent phosphofructokinase 0.011 0.2497 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0012 0.007 0.0157
Echinococcus multilocularis hyperpolarization activated cyclic 0.0016 0.0181 0.0178
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0098
Trypanosoma brucei DNA polymerase IV, putative 0.0106 0.2394 0.8221
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0012 0.0083 0.0121
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.027 0.0663
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0182 0.4291 0.6234
Brugia malayi ion channel NompC 0.0012 0.0083 0.0121
Schistosoma mansoni hypothetical protein 0.0011 0.0043 0.004
Trypanosoma brucei unspecified product 0.0106 0.2394 0.8221
Mycobacterium ulcerans DNA polymerase IV 0.0126 0.2895 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0498 0.072
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0097 0.2189 0.749
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0003 0.00000095306
Schistosoma mansoni cpg binding protein 0.0031 0.0539 0.0537
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.027 0.0267
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0012 0.0083 0.0081
Schistosoma mansoni transient receptor potential channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) calcium channel 0.0287 0.6882 1
Brugia malayi olfactory channel protein osm-9 0.0012 0.0083 0.0121
Echinococcus multilocularis dna polymerase kappa 0.0126 0.2895 0.2893
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Trypanosoma cruzi DNA damage repair protein, putative 0.0014 0.0121 0.0135
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Loa Loa (eye worm) voltage-gated calcium channel 0.0012 0.0083 0.0117
Echinococcus granulosus GA binding protein alpha chain 0.0073 0.159 0.1588
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0515 0.2469
Brugia malayi voltage-dependent calcium channel 0.0012 0.0083 0.0121
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0043 0.0063
Echinococcus granulosus hyperpolarization activated cyclic 0.0016 0.0181 0.0178
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.2497 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Echinococcus granulosus voltage dependent calcium channel 0.0287 0.6882 0.6881
Trypanosoma brucei DNA damage repair protein, putative 0.0014 0.0121 0.0135
Schistosoma mansoni vesicular amine transporter 0.0012 0.0083 0.0081
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0012 0.0083 0.0081
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2497 0.3625
Toxoplasma gondii exonuclease III APE 0.002 0.027 0.1562
Echinococcus multilocularis potassium voltage gated channel protein 0.0012 0.0083 0.0081
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0012 0.0083 0.0081
Echinococcus multilocularis potassium voltage gated channel protein 0.0012 0.0083 0.0081
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0083 0.0081
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0078 0.1713 0.2486
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0515 0.2992
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0012 0.0083 0.0121
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2497 0.8584
Schistosoma mansoni amyloid beta A4 protein related 0.0069 0.1497 0.1494
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0181 0.0178
Echinococcus granulosus two pore calcium channel protein 1 0.0012 0.0083 0.0081
Trypanosoma cruzi DNA polymerase kappa, putative 0.0126 0.2895 1
Schistosoma mansoni voltage-dependent calcium channel 0.0012 0.0083 0.0081
Leishmania major DNA damage repair protein, putative 0.0014 0.0121 0.0158
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0043 0.004
Loa Loa (eye worm) hypothetical protein 0.0287 0.6882 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0078 0.1713 0.2489
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0121 0.0694
Echinococcus multilocularis shaker cognate 0.0012 0.0083 0.0081
Loa Loa (eye worm) hypothetical protein 0.0011 0.0043 0.0059
Echinococcus multilocularis potassium voltage gated channel protein 0.0012 0.0083 0.0081
Echinococcus multilocularis transient receptor potential cation channel 0.0012 0.0083 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0515 0.123
Schistosoma mansoni voltage-gated ion channel 0.0012 0.0083 0.0081
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0287 0.6882 0.6881
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0878 0.1276
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0012 0.0083 0.0188
Echinococcus granulosus voltage gated potassium channel 0.0016 0.0181 0.0178
Toxoplasma gondii hypothetical protein 0.0012 0.0083 0.0471
Loa Loa (eye worm) hypothetical protein 0.0012 0.0083 0.0117
Trypanosoma brucei DNA polymerase IV, putative 0.0126 0.2895 1
Echinococcus multilocularis sodium leak channel non selective protein 0.0012 0.0083 0.0081
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.114 0.665
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0016 0.0181 0.0178
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0012 0.0083 0.0121
Echinococcus multilocularis short transient receptor potential channel 6 0.0012 0.0083 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0126 0.2895 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0878 0.2828
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0078 0.1713 0.1711

Activities

Activity type Activity value Assay description Source Reference
Decrease (functional) = 61 % Percent decrease of negative chronotropic activity on isolated guinea pig spontaneously beating right atrium at 1*10e-5 M ChEMBL. 8709127
Decrease (functional) = 83 % Percent decrease of negative inotropic activity on isolated guinea pig left atrium at 5*10e-5 M ChEMBL. 8709127
ED30 (functional) = 0.88 uM Activity of chronotropic negative potency on guinea pig spontaneously beating right atrium. ChEMBL. 8709127
ED50 (functional) = 0.66 uM Activity of inotropic negative potency on stimulated guinea pig left atrium ChEMBL. 8709127
IC50 (binding) = 3.3 nM Ability to inhibit [3H]-nitrendipine binding to the calcium channel receptor(CCR) in rat cerebral cortex homogenate. ChEMBL. 8709127
IC50 (binding) = 3.3 nM Ability to inhibit [3H]-nitrendipine binding to the calcium channel receptor(CCR) in rat cerebral cortex homogenate. ChEMBL. 8709127
Inhibition (functional) = 40 % [Ca2+] antagonistic activity on K+ depolarized guinea pig aortic strips (at 5(10e-5) M). ChEMBL. 8709127
Ki (binding) = 1.5 nM Inhibition of [3H]-nitrendipine binding to L-type calcium channel receptor(CCR) in rat cerebral cortex homogenate ChEMBL. 8709127
Ki (binding) = 1.5 nM Inhibition of [3H]-nitrendipine binding to L-type calcium channel receptor(CCR) in rat cerebral cortex homogenate ChEMBL. 8709127

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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