Detailed information for compound 1458408

Basic information

Technical information
  • TDR Targets ID: 1458408
  • Name: N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-met hoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-a mine hydrochloride
  • MW: 520.287 | Formula: C22H29BrCl2N2O3
  • H donors: 1 H acceptors: 0 LogP: 4.87 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(CNCCCN2CCOCC2)cc(c1OCc1ccc(cc1)Cl)Br.Cl
  • InChi: 1S/C22H28BrClN2O3.ClH/c1-27-21-14-18(15-25-7-2-8-26-9-11-28-12-10-26)13-20(23)22(21)29-16-17-3-5-19(24)6-4-17;/h3-6,13-14,25H,2,7-12,15-16H2,1H3;1H
  • InChiKey: AHFFYXGZFWJICT-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-morpholino-propan-1-amine hydrochloride
  • N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-morpholinopropan-1-amine hydrochloride
  • [3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-(3-morpholinopropyl)amine hydrochloride
  • N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]-3-morpholin-4-yl-propan-1-amine hydrochloride
  • SMR000294818
  • MLS000664871
  • N-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxybenzyl}-3-(4-morpholinyl)-1-propanamine dihydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1303 0.1148
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0051 0.0836 0.0653
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.0051 0.0836 0.0653
Echinococcus granulosus GPCR family 2 0.0019 0.0175 0.0172
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0051 0.0836 0.0833
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0051 0.0836 0.0833
Echinococcus granulosus Proteasome subunit alpha type 7 0.0051 0.0836 0.0833
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0175 0.0218
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1385 0.1382
Echinococcus granulosus geminin 0.0205 0.4014 0.4013
Brugia malayi 20S proteasome alpha5 subunit 0.0051 0.0836 0.1042
Trypanosoma cruzi oligopeptidase b 0.0064 0.1105 0.1004
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0051 0.0836 0.0653
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0051 0.0836 0.0673
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0051 0.0836 0.0653
Echinococcus granulosus proteasome subunit alpha type 2 0.0051 0.0836 0.0833
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0051 0.0836 0.0833
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0051 0.0836 0.0653
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0051 0.0836 0.0833
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0051 0.0836 0.0653
Echinococcus granulosus cpg binding protein 0.0037 0.0539 0.0537
Trypanosoma cruzi proteasome beta 7 subunit, putative 0.0051 0.0836 0.0653
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0252 0.4994 0.6062
Trypanosoma brucei proteasome beta 7 subunit 0.0051 0.0836 0.0653
Trypanosoma cruzi oligopeptidase b 0.0064 0.1105 0.1004
Trypanosoma brucei proteasome beta-1 subunit, putative 0.0051 0.0836 0.0653
Giardia lamblia Proteasome subunit beta type 3 0.0051 0.0836 0.0653
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0182 0.3544 0.343
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0498 0.0618
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1385 0.1382
Schistosoma mansoni hypothetical protein 0.0058 0.0986 0.0825
Toxoplasma gondii peptidase, T1 family protein 0.0051 0.0836 0.0653
Plasmodium vivax proteasome subunit beta type-5, putative 0.0398 0.8021 1
Mycobacterium ulcerans proteasome PrcB 0.0398 0.8021 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0252 0.4994 0.6062
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1026 0.128
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit alpha type 3, putative 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Schistosoma mansoni survival motor neuron protein 0.0058 0.0986 0.0825
Plasmodium falciparum proteasome subunit beta type-4 0.0051 0.0836 0.0653
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0051 0.0836 0.1039
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0683 0.0851
Brugia malayi proteasome subunit beta type 1 0.0252 0.4994 0.6226
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B 0.0051 0.0836 0.0653
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2692 0.2562
Trypanosoma brucei proteasome alpha 2 subunit, putative 0.0051 0.0836 0.0653
Trypanosoma brucei prolyl oligopeptidase, putative 0.0064 0.1105 0.1004
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1385 0.1382
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1026 0.1277
Schistosoma mansoni hypothetical protein 0.0205 0.4014 0.3908
Brugia malayi proteasome subunit alpha type 1 0.0051 0.0836 0.1042
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0051 0.0836 0.1039
Plasmodium vivax proteasome subunit beta type-4, putative 0.0051 0.0836 0.0653
Trypanosoma brucei proteasome alpha 7 subunit 0.0051 0.0836 0.0653
Trypanosoma brucei ATP-dependent protease subunit HslV 0.0051 0.0836 0.0653
Giardia lamblia 20S proteasome alpha subunit 6 0.0051 0.0836 0.0653
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.123 0.1227
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0252 0.4994 0.4992
Plasmodium vivax proteasome subunit alpha type-6, putative 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Plasmodium vivax proteasome subunit beta type-6, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) hypothetical protein 0.0041 0.0632 0.0785
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0064 0.1105 0.0375
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.214 0.1815
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0398 0.8021 1
Leishmania major proteasome beta 5 subunit, putative 0.0398 0.8021 1
Trypanosoma cruzi 20S proteasome subunit 0.0051 0.0836 0.0653
Loa Loa (eye worm) hypothetical protein 0.0019 0.0175 0.0215
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0051 0.0836 0.0673
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0051 0.0836 0.0833
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0398 0.8021 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.2206 0.2748
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0182 0.3544 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0064 0.1105 0.0375
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.2206 0.2204
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0252 0.4994 0.6062
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0051 0.0836 0.0673
Brugia malayi proteasome subunit alpha type 6 0.0051 0.0836 0.1042
Loa Loa (eye worm) hypothetical protein 0.0043 0.0677 0.0841
Giardia lamblia 20S proteasome alpha subunit 4 0.0051 0.0836 0.0653
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0051 0.0836 0.0653
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.123 0.1166
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0252 0.4994 0.6062
Brugia malayi Proteasome A-type and B-type family protein 0.0051 0.0836 0.1042
Echinococcus multilocularis proteasome subunit alpha type 2 0.0051 0.0836 0.0833
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0175 0.0172
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0051 0.0836 0.0653
Echinococcus multilocularis geminin 0.0205 0.4014 0.4013
Entamoeba histolytica proteasome subunit alpha type 1, putative 0.0051 0.0836 0.0653
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.123 0.1074
Trypanosoma brucei proteasome beta 6 subunit 0.0252 0.4994 0.6062
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.123 0.1166
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.2692 0.3357
Brugia malayi proteasome subunit alpha type 2 0.0051 0.0836 0.1042
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0398 0.8021 1
Plasmodium vivax proteasome subunit alpha type-4, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) proteasome subunit beta type 2 0.0051 0.0836 0.1039
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0051 0.0836 0.0653
Onchocerca volvulus 0.0058 0.0986 0.16
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0051 0.0836 0.1039
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0051 0.0836 0.0833
Loa Loa (eye worm) proteasome subunit beta type 3 0.0051 0.0836 0.1039
Brugia malayi hypothetical protein 0.0286 0.5689 0.7093
Trypanosoma brucei proteasome alpha 1 subunit, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0051 0.0836 0.0673
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0182 0.3544 0.4419
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0051 0.0836 0.0653
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0051 0.0836 0.0833
Schistosoma mansoni transient receptor potential channel 0.0117 0.2206 0.2067
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Brugia malayi Proteasome subunit alpha type 1 0.0051 0.0836 0.1042
Giardia lamblia Proteasome subunit beta type 4 precursor 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0051 0.0836 0.0653
Plasmodium vivax proteasome subunit alpha type-3, putative 0.0051 0.0836 0.0653
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0051 0.0836 0.0653
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0398 0.8021 1
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0051 0.0836 0.0653
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0398 0.8021 1
Brugia malayi prolyl oligopeptidase family protein 0.007 0.123 0.1533
Loa Loa (eye worm) hypothetical protein 0.0074 0.1304 0.1623
Toxoplasma gondii proteasome subunit alpha1, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit beta type 7-B precursor, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Schistosoma mansoni hypothetical protein 0.0041 0.0632 0.0465
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0051 0.0836 0.0833
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0051 0.0836 0.0833
Loa Loa (eye worm) hypothetical protein 0.0027 0.0334 0.0413
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0051 0.0836 0.0653
Trypanosoma brucei proteasome beta 3 subunit, putative 0.0051 0.0836 0.0653
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.2692 0.7203
Trypanosoma cruzi ATP-dependent protease subunit HslV, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit beta type-5 0.0398 0.8021 1
Echinococcus multilocularis proteasome subunit beta type 7 0.0051 0.0836 0.0833
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1026 0.128
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.2692 0.269
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0051 0.0836 0.0653
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0051 0.0836 0.0673
Brugia malayi CXXC zinc finger family protein 0.0035 0.0498 0.0621
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.123 0.1166
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0051 0.0836 0.1039
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0064 0.1105 0.1004
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.123 0.1166
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.2692 0.3069
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0051 0.0836 0.0653
Echinococcus granulosus proteasome prosome macropain 0.0398 0.8021 0.802
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0051 0.0836 0.0653
Brugia malayi Proteasome A-type and B-type family protein 0.0398 0.8021 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0252 0.4994 0.5787
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0252 0.4994 0.4905
Entamoeba histolytica proteasome subunit beta Type 4 precursor, putative 0.0051 0.0836 0.0653
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0986 0.1229
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0051 0.0836 0.0653
Trypanosoma brucei prolyl endopeptidase 0.0141 0.2692 0.3069
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2692 0.2562
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0334 0.0416
Mycobacterium tuberculosis Probable peptidase 0.0064 0.1105 0.0375
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0064 0.1105 0.0375
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0175 0.0215
Plasmodium vivax proteasome subunit beta type-3, putative 0.0051 0.0836 0.0653
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.123 0.1227
Loa Loa (eye worm) prolyl oligopeptidase 0.0182 0.3544 0.4417
Giardia lamblia 20S proteasome alpha subunit 7 0.0051 0.0836 0.0653
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.2206 0.2067
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0683 0.068
Trypanosoma brucei oligopeptidase b 0.0064 0.1105 0.1004
Echinococcus multilocularis proteasome subunit beta type 6 0.0051 0.0836 0.0833
Entamoeba histolytica proteasome subunit alpha type 6, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit alpha type 2-A, putative 0.0051 0.0836 0.0653
Giardia lamblia Proteasome subunit beta type 9 precursor 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0398 0.8021 1
Brugia malayi proteasome subunit beta type 2 0.0051 0.0836 0.1042
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0252 0.4994 0.4992
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.123 0.1166
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0175 0.0218
Schistosoma mansoni hypothetical protein 0.0494 1 1
Plasmodium vivax proteasome subunit beta type-2, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0398 0.8021 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0632 0.0788
Toxoplasma gondii heat shock protein hslv, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0252 0.4994 0.6062
Loa Loa (eye worm) hypothetical protein 0.006 0.1026 0.1277
Echinococcus multilocularis cpg binding protein 0.0037 0.0539 0.0537
Brugia malayi prolyl oligopeptidase family protein 0.0027 0.0334 0.0416
Trypanosoma brucei proteasome beta 2 subunit, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma brucei proteasome subunit alpha type-5, putative 0.0051 0.0836 0.0653
Brugia malayi Proteasome A-type and B-type family protein 0.0051 0.0836 0.1042
Trypanosoma brucei Proteasome subunit A N-terminal signature/Proteasome subunit, putative 0.0051 0.0836 0.0653
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.2692 0.2584
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0051 0.0836 0.0673
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0051 0.0836 0.0653
Echinococcus granulosus proteasome subunit beta type 6 0.0051 0.0836 0.0833
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0051 0.0836 0.0833
Echinococcus granulosus proteasome subunit beta type 7 0.0051 0.0836 0.0833
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0683 0.068
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0182 0.3544 0.3543
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0051 0.0836 0.5
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0051 0.0836 0.0673
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0051 0.0836 0.0653
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0064 0.1105 0.1004
Toxoplasma gondii proteasome subunit 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0051 0.0836 0.0673
Schistosoma mansoni transient receptor potential channel 0.0078 0.1385 0.1231
Giardia lamblia Proteasome subunit beta type 1 0.0252 0.4994 0.6062
Loa Loa (eye worm) hypothetical protein 0.004 0.0602 0.0747
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0051 0.0836 0.1039
Brugia malayi Proteasome A-type and B-type family protein 0.0051 0.0836 0.1042
Echinococcus granulosus prolyl endopeptidase 0.0141 0.2692 0.269
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0027 0.0334 0.0162
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0051 0.0836 0.0653
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0175 0.0172
Plasmodium vivax proteasome subunit alpha type-2, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0051 0.0836 0.0673
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0398 0.8021 1
Entamoeba histolytica proteasome subunit alpha type 4, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit beta type 3, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) PAS-3 protein 0.0051 0.0836 0.1039
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1385 0.1382
Giardia lamblia Proteasome subunit beta type 7 precursor 0.0051 0.0836 0.0653
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0051 0.0836 0.0833
Brugia malayi hypothetical protein 0.0043 0.0677 0.0844
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.114 0.1049
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0398 0.8021 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5689 0.5688
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.2206 0.2204
Toxoplasma gondii proteasome subunit beta type, putative 0.0398 0.8021 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0027 0.0334 0.0413
Brugia malayi proteasome subunit alpha type 4 0.0051 0.0836 0.1042
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0371
Giardia lamblia Proteasome subunit beta type 2 0.0051 0.0836 0.0653
Echinococcus granulosus Proteasome subunit alpha beta 0.0051 0.0836 0.0833
Loa Loa (eye worm) hypothetical protein 0.0044 0.0683 0.0848
Giardia lamblia 20S proteasome alpha subunit 1 0.0051 0.0836 0.0653
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0027 0.0334 0.0162
Loa Loa (eye worm) proteasome subunit beta type 1 0.0252 0.4994 0.6225
Echinococcus multilocularis GPCR, family 2 0.0019 0.0175 0.0172
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5689 0.5688
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0051 0.0836 0.1039
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0051 0.0836 0.0673
Entamoeba histolytica calcium-dependent protein kinase 2, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0051 0.0836 0.0673
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0175 0.0172
Echinococcus granulosus subfamily T1A non peptidase ue 0.0051 0.0836 0.0833
Echinococcus multilocularis acylamino acid releasing enzyme 0.0027 0.0334 0.0331
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0051 0.0836 0.0833
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0064 0.1105 0.0375
Echinococcus multilocularis proteasome (prosome, macropain) 0.0398 0.8021 0.802
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0051 0.0836 0.1039
Trypanosoma brucei proteasome alpha 7 subunit, putative 0.0051 0.0836 0.0653
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0398 0.8021 0.7985
Toxoplasma gondii proteasome subunit alpha type, putative 0.0051 0.0836 0.0653
Giardia lamblia 20S proteasome alpha subunit 2 0.0051 0.0836 0.0653
Plasmodium vivax proteasome subunit alpha type-5, putative 0.0051 0.0836 0.0653
Echinococcus multilocularis proteasome subunit alpha type 6 0.0051 0.0836 0.0833
Schistosoma mansoni hypothetical protein 0.0205 0.4014 0.3908
Plasmodium vivax proteasome subunit beta type-7, putative 0.0051 0.0836 0.0653
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.2125 0.2123
Trypanosoma brucei proteasome alpha 3 subunit, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) hypothetical protein 0.0027 0.0334 0.0413
Brugia malayi proteasome subunit beta type 3 0.0051 0.0836 0.1042
Loa Loa (eye worm) hypothetical protein 0.0141 0.2692 0.3355
Schistosoma mansoni cpg binding protein 0.0035 0.0498 0.0329
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0051 0.0836 0.0833
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.2125 0.2123
Schistosoma mansoni transient receptor potential channel 0.0078 0.1385 0.1231
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0051 0.0836 0.0673
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0051 0.0836 0.0653
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) hypothetical protein 0.0286 0.5689 0.7092
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.123 0.0548
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0051 0.0836 0.0653
Giardia lamblia 20S proteasome alpha subunit 3 0.0051 0.0836 0.0653
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0064 0.1105 0.1004
Echinococcus granulosus proteasome subunit alpha type 6 0.0051 0.0836 0.0833
Toxoplasma gondii prolyl endopeptidase 0.0141 0.2692 0.3069
Toxoplasma gondii proteasome beta subunit 0.0051 0.0836 0.0653
Echinococcus granulosus proteasome subunit beta t family 0.0051 0.0836 0.0833
Trypanosoma cruzi proteasome subunit alpha type-1, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0051 0.0836 0.1039
Echinococcus granulosus acylamino acid releasing enzyme 0.0027 0.0334 0.0331
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0175 0.0172
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0252 0.4994 0.6062
Plasmodium vivax proteasome subunit alpha type-1, putative 0.0051 0.0836 0.0653
Onchocerca volvulus Notchless protein homolog 0.0051 0.0836 0.1108
Giardia lamblia 20S proteasome alpha subunit 5 0.0051 0.0836 0.0653
Plasmodium vivax proteasome subunit alpha type-7, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit beta type 6 precursor, putative 0.0051 0.0836 0.0653
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0051 0.0836 0.1039
Brugia malayi Proteasome subunit alpha type 7-1 0.0051 0.0836 0.1042
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.0051 0.0836 0.0653
Entamoeba histolytica proteasome subunit alpha type 5, putative 0.0051 0.0836 0.0653
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0252 0.4994 0.6062
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0051 0.0836 0.0653
Leishmania major oligopeptidase b 0.0064 0.1105 0.0375
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0051 0.0836 0.0833
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0051 0.0836 0.0653
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0051 0.0836 0.0653
Brugia malayi proteasome subunit alpha type 3 0.0051 0.0836 0.1042
Entamoeba histolytica proteasome subunit alpha type 7, putative 0.0051 0.0836 0.0653
Schistosoma mansoni cpg binding protein 0.0037 0.0539 0.0371
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0182 0.3544 0.3543

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 5.956 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 12.9953 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 33.5875 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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