Detailed information for compound 1074368

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.626 | Formula: C28H37N5O
  • H donors: 1 H acceptors: 2 LogP: 5.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc(cn1c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(c1C)C
  • InChi: 1S/C28H37N5O/c1-4-10-27-30-25(21-33(27)24-12-6-5-7-13-24)28(34)29-15-9-16-31-17-19-32(20-18-31)26-14-8-11-22(2)23(26)3/h5-8,11-14,21H,4,9-10,15-20H2,1-3H3,(H,29,34)
  • InChiKey: NFNYZLRYJMHHBL-UHFFFAOYSA-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 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL No references
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
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 brucei heat shock protein, putative 0.0051 0.0717 0.129
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0013 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0682 0.1223
Loa Loa (eye worm) hypothetical protein 0.0126 0.2077 0.3856
Onchocerca volvulus Huntingtin homolog 0.0126 0.2077 0.3895
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.011 0.0082
Giardia lamblia DINP protein human, muc B family 0.0021 0.0177 0.0269
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.2535 0.4721
Echinococcus granulosus dna polymerase eta 0.0049 0.0682 0.0705
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0048 0.066 0.2125
Onchocerca volvulus 0.0013 0.0034 0.0064
Echinococcus multilocularis dna polymerase eta 0.0049 0.0682 0.0705
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0058 0.0044
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0782 0.1413
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0034 0.0407 0.0406
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0177 0.0269
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0177 0.0016
Trypanosoma brucei unspecified product 0.0021 0.0177 0.0269
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0173 0.0151
Plasmodium vivax heat shock protein 86, putative 0.0051 0.0717 0.2096
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0173 0.0262
Echinococcus granulosus neuropeptide receptor A26 0.0521 0.9217 1
Echinococcus granulosus endoplasmin 0.0048 0.066 0.0682
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Entamoeba histolytica heat shock protein 90, putative 0.0051 0.0717 0.129
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0177 0.0016
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0418 0.0724
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Trichomonas vaginalis CAMK family protein kinase 0.0151 0.2535 0.4721
Plasmodium vivax heat shock protein 90, putative 0.0034 0.0407 0.1145
Brugia malayi serine/threonine-protein kinase plk-2 0.0306 0.5331 0.5315
Schistosoma mansoni protein phosphatase 2C 0.0017 0.011 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0044 0.0584 0.0599
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Entamoeba histolytica heat shock protein 90, putative 0.0051 0.0717 0.129
Brugia malayi jmjC domain containing protein 0.0017 0.011 0.0076
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Echinococcus multilocularis sentrin specific protease 8 0.0068 0.1031 0.1086
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0306 0.5331 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0177 0.0016
Plasmodium vivax endoplasmin, putative 0.0051 0.0717 0.2096
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Trypanosoma cruzi heat shock protein 90, putative 0.0051 0.0717 0.129
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0017 0.011 0.0143
Schistosoma mansoni hypothetical protein 0.0037 0.047 0.0822
Loa Loa (eye worm) heat shock protein 75 0.0034 0.0407 0.0704
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0173 0.0425
Onchocerca volvulus Serine\/threonine kinase homolog 0.0306 0.5331 1
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Plasmodium falciparum heat shock protein 90 0.0051 0.0717 0.2096
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0048 0.066 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0148 0.2468 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0177 0.0269
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.011 0.0082
Giardia lamblia Heat shock protein HSP 90-alpha 0.0044 0.0584 0.1038
Schistosoma mansoni jumonji domain containing protein 0.0017 0.011 0.0143
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0177 0.0269
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Trichomonas vaginalis heat shock protein, putative 0.0048 0.066 0.1182
Trypanosoma cruzi polo-like protein kinase, putative 0.0306 0.5331 1
Schistosoma mansoni hypothetical protein 0.0017 0.0107 0.0137
Schistosoma mansoni ap endonuclease 0.0021 0.0173 0.0262
Echinococcus multilocularis neuropeptide receptor A26 0.0521 0.9217 1
Trypanosoma brucei heat shock protein 90, putative 0.0051 0.0717 0.129
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.011 0.0082
Echinococcus multilocularis phd:f box containing protein 0.0017 0.011 0.0082
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0173 0.0262
Schistosoma mansoni kinase 0.0155 0.2608 0.4859
Loa Loa (eye worm) hypothetical protein 0.0017 0.011 0.0143
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0177 0.0155
Brugia malayi jmjC domain containing protein 0.0017 0.011 0.0076
Schistosoma mansoni hypothetical protein 0.0017 0.0107 0.0137
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0177 0.0016
Loa Loa (eye worm) hypothetical protein 0.0126 0.2077 0.3856
Brugia malayi Endoplasmin precursor 0.0051 0.0717 0.0685
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0173 0.0262
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0107 0.0079
Loa Loa (eye worm) hypothetical protein 0.0055 0.0782 0.1413
Toxoplasma gondii heat shock protein 90, putative 0.0051 0.0717 0.2096
Treponema pallidum heat shock protein 90 0.0048 0.066 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0193 0.3293 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0058 0.0044
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0034 0.0407 0.0704
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0068 0.1031 0.1882
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Loa Loa (eye worm) hypothetical protein 0.0017 0.0107 0.0137
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0173 0.0262
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0177 0.0155
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0979 0.1784
Trypanosoma cruzi heat shock protein, putative 0.0034 0.0407 0.0704
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0107 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0306 0.5331 1
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0979 0.1029
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0173 0.0262
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Schistosoma mansoni serine/threonine protein kinase 0.0306 0.5331 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.011 0.0143
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0979 0.1029
Trichomonas vaginalis heat shock protein, putative 0.0037 0.0464 0.0811
Loa Loa (eye worm) Ulp1 protease 0.0068 0.1031 0.1882
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0418 0.1177
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0177 0.0269
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Trypanosoma cruzi Heat shock protein 83, putative 0.0051 0.0717 0.129
Giardia lamblia Grp94/Hsp90 0.0048 0.066 0.1182
Trichomonas vaginalis endoplasmin, putative 0.0037 0.0464 0.0811
Echinococcus multilocularis GPCR, family 2 0.0017 0.0107 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0058 0.0044
Schistosoma mansoni heat shock protein 0.0051 0.0717 0.129
Trichomonas vaginalis heat shock protein, putative 0.003 0.0331 0.056
Toxoplasma gondii exonuclease III APE 0.0021 0.0173 0.0425
Trypanosoma cruzi heat shock protein 85, putative 0.0044 0.0584 0.1038
Giardia lamblia Heat shock protein HSP 90-alpha 0.0051 0.0717 0.129
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0177 0.0155
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0782 0.0751
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0177 0.0269
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0034 0.0407 0.0764
Leishmania major hypothetical protein, conserved 0.0017 0.011 0.0143
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0173 0.0262
Brugia malayi hypothetical protein 0.0126 0.2077 0.2049
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0071 0.1077 0.3941
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.011 0.0082
Trichomonas vaginalis heat shock protein, putative 0.0044 0.0584 0.1038
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.011 0.0082
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0173 0.0425
Trypanosoma brucei heat shock protein 84, putative 0.0034 0.0407 0.0704
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0717 0.129
Trypanosoma brucei heat shock protein 90, putative 0.0051 0.0717 0.129
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.011 0.0143
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0782 0.0751
Trypanosoma cruzi hypothetical protein 0.0068 0.1031 0.1882
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.011 0.0143
Echinococcus multilocularis neuropeptide s receptor 0.0521 0.9217 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0177 0.0143
Echinococcus granulosus heat shock protein 90 0.0051 0.0717 0.0744
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0107 0.0073
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0068 0.1031 0.1882
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0148 0.2468 1
Leishmania major DNA polymerase eta, putative 0.0049 0.0682 0.1223
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.011 0.0143
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0173 0.0139
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0306 0.5331 0.5768
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0034 0.0407 0.0406
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0173 0.0151
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0068 0.1031 0.1882
Giardia lamblia Kinase, PLK 0.0306 0.5331 1
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Plasmodium falciparum endoplasmin, putative 0.0037 0.0464 0.1319
Echinococcus multilocularis endoplasmin 0.0048 0.066 0.0682
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0979 0.1784
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.011 0.0143
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0177 0.0269
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0013 0.0034 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0306 0.5331 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0068 0.1031 0.1882
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0017 0.011 0.0232
Brugia malayi Hsp90 protein 0.0034 0.0407 0.0374
Echinococcus granulosus heat shock protein 0.0051 0.0717 0.0744
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0979 0.1784
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Brugia malayi jmjC domain containing protein 0.0017 0.011 0.0076
Plasmodium falciparum heat shock protein 90, putative 0.0193 0.3293 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Loa Loa (eye worm) hypothetical protein 0.0017 0.011 0.0143
Trichomonas vaginalis heat shock protein, putative 0.0051 0.0717 0.129
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0979 0.1784
Leishmania major DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.047 0.0437
Plasmodium falciparum heat shock protein 90, putative 0.003 0.0331 0.0909
Plasmodium falciparum JmjC domain-containing protein, putative 0.0017 0.011 0.0232
Loa Loa (eye worm) hypothetical protein 0.0017 0.011 0.0143
Echinococcus granulosus phd:f box containing protein 0.0017 0.011 0.0082
Onchocerca volvulus Huntingtin homolog 0.0126 0.2077 0.3895
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0177 0.0269
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0107 0.0079
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0071 0.1077 1
Leishmania major heat shock protein, putative 0.0034 0.0407 0.0704
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0107 0.0137
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0107 0.0079
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0068 0.1031 0.1882
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Schistosoma mansoni phosphatidylserine receptor 0.0017 0.011 0.0143
Mycobacterium ulcerans lipoprotein LpqF 0.0071 0.1077 0.3941
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.0682 0.065
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0107 0.0073
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0717 0.129
Loa Loa (eye worm) heat shock protein 90 0.0051 0.0717 0.129
Echinococcus multilocularis heat shock protein 0.0051 0.0717 0.0744
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Loa Loa (eye worm) hypothetical protein 0.0037 0.047 0.0822
Brugia malayi heat shock protein 90 0.0051 0.0717 0.0685
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0017 0.011 0.0232
Schistosoma mansoni ap endonuclease 0.0021 0.0173 0.0262
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.0979 0.1029
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.011 0.0082
Mycobacterium ulcerans heat shock protein 90 0.0048 0.066 0.2125
Trichomonas vaginalis heat shock protein, putative 0.0048 0.066 0.1182
Schistosoma mansoni hypothetical protein 0.0017 0.0107 0.0137
Plasmodium vivax heat shock protein, putative 0.0193 0.3293 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0173 0.0262
Schistosoma mansoni hypothetical protein 0.0017 0.0107 0.0137
Schistosoma mansoni heat shock protein 0.0034 0.0407 0.0704
Echinococcus granulosus GPCR family 2 0.0017 0.0107 0.0079
Trypanosoma brucei unspecified product 0.0015 0.0058 0.0044
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0048 0.066 0.1182
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Entamoeba histolytica serine/threonine protein kinase, putative 0.0306 0.5331 1
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.0682 0.1223
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0306 0.5331 0.5768
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Trypanosoma brucei beta lactamase 0.0071 0.1077 0.197
Echinococcus multilocularis heat shock protein 90 0.0051 0.0717 0.0744
Schistosoma mansoni endoplasmin 0.0051 0.0717 0.129
Trypanosoma cruzi heat shock protein 90, putative 0.0021 0.018 0.0276
Echinococcus granulosus neuropeptide s receptor 0.0521 0.9217 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0177 0.0269
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.0979 0.1029
Schistosoma mansoni heat shock protein 0.0051 0.0717 0.129
Trichomonas vaginalis Sentrin-specific protease, putative 0.0068 0.1031 0.1882
Echinococcus granulosus heat shock protein 90 0.0044 0.0584 0.0599
Echinococcus granulosus dna polymerase kappa 0.0021 0.0177 0.0155
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0173 0.0262
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Brugia malayi jmjC domain containing protein 0.0017 0.011 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Echinococcus multilocularis heat shock protein 90 0.0044 0.0584 0.0599
Trypanosoma cruzi heat shock protein 85, putative 0.0051 0.0717 0.129
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0682 0.1223
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0173 0.0262
Schistosoma mansoni endoplasmin 0.0051 0.0717 0.129
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.011 0.0082
Schistosoma mansoni DNA polymerase eta 0.0049 0.0682 0.1223
Trypanosoma brucei heat shock protein, putative 0.0051 0.0717 0.129
Brugia malayi jmjC domain containing protein 0.0065 0.0979 0.0948
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0177 0.0269
Brugia malayi jmjC domain containing protein 0.0065 0.0979 0.0948
Schistosoma mansoni phd/f-box containing protein 0.0017 0.011 0.0143
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0017 0.011 0.0143
Toxoplasma gondii heat shock protein HSP90 0.0051 0.0717 0.2096
Trypanosoma brucei Heat shock protein 83, putative 0.0051 0.0717 0.129
Loa Loa (eye worm) endoplasmin 0.0051 0.0717 0.129
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.011 0.0082
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0068 0.1031 0.1
Echinococcus granulosus sentrin specific protease 8 0.0068 0.1031 0.1086
Trichomonas vaginalis CAMK family protein kinase 0.0306 0.5331 1
Plasmodium vivax JmjC domain containing protein 0.0017 0.011 0.0232
Trypanosoma brucei unspecified product 0.0015 0.0058 0.0044
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0177 0.0269
Trypanosoma brucei polo-like protein kinase 0.0306 0.5331 1
Leishmania major heat shock protein 83-1 0.0051 0.0717 0.129
Toxoplasma gondii heat shock protein 75, putative 0.0034 0.0407 0.1145
Leishmania major DNA polymerase eta, putative 0.0034 0.0418 0.0724
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269
Trypanosoma cruzi heat shock protein 90, putative 0.0044 0.0584 0.1038
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0177 0.0269

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 103 nM BindingDB_Patents: Binding Assay. For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in CHO-K1 cells (5 ug/well) and 1 nM [3H]Ketanserin (PerkinElmer) were used in the presence of mianserin (20 uM) as a nonspecific. The reaction mixture was incubated for 60 min at 27° C. using 50 mM Tris-HCl (pH 7.4) buffer containing 4 mM CaCl2 and 0.1% ascorbic acid, and harvested through filtermate A glass fiber filter (Wallac, Finland) presoaked in 0.5% polyethyleneimine (PEI) by microbeta filtermate-96 harvester (PerkinElmer) to terminate the reaction, and then washed with ice cold 50 mM Tris-HCl buffer solution (pH 7.4). The filter was then covered with MeltiLex, sealed in a sample bag, dried in an oven. The radioactivity retained in the filter was finally counted using MicroBeta Plus (Wallac). For serotonin 5-HT2C binding, frozen membranes from stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor. ChEMBL. No reference
IC50 (binding) = 133 nM Binding Assay BINDINGDB. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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