Detailed information for compound 898127

Basic information

Technical information
  • TDR Targets ID: 898127
  • Name: 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-h ydroxychromen-4-one
  • MW: 357.831 | Formula: C20H20ClNO3
  • H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(Cc1c(O)ccc2c1occ(c2=O)c1ccc(cc1)Cl)CC
  • InChi: 1S/C20H20ClNO3/c1-3-22(4-2)11-16-18(23)10-9-15-19(24)17(12-25-20(15)16)13-5-7-14(21)8-6-13/h5-10,12,23H,3-4,11H2,1-2H3
  • InChiKey: IRHGBZGOHWRMDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-chromen-4-one
  • 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-4-chromenone
  • 3-(4-chlorophenyl)-8-(diethylaminomethyl)-7-hydroxy-chromone
  • ST5007790
  • Oprea1_561565
  • BIM-0038051.P001
  • Oprea1_773461
  • CBMicro_038068
  • 3-(4-Chloro-phenyl)-8-diethylaminomethyl-7-hydroxy-chromen-4-one
  • BAS 01220957

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0119 0.0197
Entamoeba histolytica ABC transporter, putative 0.0011 0.0081 0.0135
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0425 0.031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0425 0.0424
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0225 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0026 0.0746 0.1238
Onchocerca volvulus 0.0225 1 1
Schistosoma mansoni hypothetical protein 0.0011 0.006 0.006
Schistosoma mansoni tyrosinase precursor 0.0225 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0012 0.0119 0.0197
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0425 0.0469
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0026 0.0746 0.1238
Trichomonas vaginalis ornithine decarboxylase, putative 0.005 0.1861 0.309
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0011 0.0081 0.0081
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0139 0.6024 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0425 0.0469
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Schistosoma mansoni ABC transporter 0.001 0.0001 0.0001
Loa Loa (eye worm) cysteine protease 0.0019 0.0425 0.0424
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0139 0.6024 1
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0119 0.0131
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis taga, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0119 0.0197
Trypanosoma brucei ornithine decarboxylase 0.0139 0.6024 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0026 0.0746 0.0746
Loa Loa (eye worm) hypothetical protein 0.0012 0.0119 0.0117
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0119 0.0131
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0425 0.0425
Echinococcus granulosus cathepsin l1 0.0013 0.0135 0.0149
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0026 0.0746 0.0745
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0139 0.6024 0.6023
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.006 0.0066
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0139 0.6024 1
Echinococcus multilocularis geminin 0.0205 0.906 1
Entamoeba histolytica P-glycoprotein-5 0.0012 0.0119 0.0197
Entamoeba histolytica P-glycoprotein-2, putative 0.0012 0.0119 0.0197
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0026 0.0746 0.115
Entamoeba histolytica P-glycoprotein-2 0.0012 0.0119 0.0197
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Brugia malayi Cytochrome P450 family protein 0.0011 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0205 0.906 0.906
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0119 0.0131
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0425 0.031
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.0119 0.0131
Entamoeba histolytica P-glyco protein 6, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Schistosoma mansoni multidrug resistance protein 0.0012 0.0119 0.0119
Plasmodium vivax vivapain-2 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0119 0.0131
Loa Loa (eye worm) hypothetical protein 0.0013 0.0135 0.0134
Trichomonas vaginalis abcb9, putative 0.0012 0.0119 0.0197
Loa Loa (eye worm) hypothetical protein 0.0225 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus granulosus multidrug resistance protein 1 0.0012 0.0119 0.0131
Leishmania major ornithine decarboxylase, putative 0.0139 0.6024 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Loa Loa (eye worm) ShTK domain-containing protein 0.0225 1 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0026 0.0746 0.115
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0425 0.0469
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0139 0.6024 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Loa Loa (eye worm) hypothetical protein 0.0013 0.0135 0.0134
Entamoeba histolytica P-glycoprotein 5, putative 0.0012 0.0119 0.0197
Onchocerca volvulus 0.0019 0.0425 0.031
Trichomonas vaginalis ornithine decarboxylase, putative 0.0139 0.6024 1
Schistosoma mansoni tyrosinase precursor 0.0225 1 1
Plasmodium vivax ABC transporter G family member 2, putative 0.0011 0.0081 0.0135
Leishmania major p-glycoprotein 0.0012 0.0119 0.0099
Schistosoma mansoni cytochrome P450 0.0011 0.006 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.2047 0.3398
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0425 0.0469
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0026 0.0746 0.1238
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0011 0.006 0.0697
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0225 1 1
Brugia malayi Cytochrome P450 family protein 0.0011 0.006 0.006
Brugia malayi Cathepsin L-like precursor 0.0013 0.0135 0.0135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus multilocularis ATP binding cassette sub family B 0.0012 0.0106 0.0117
Onchocerca volvulus 0.0225 1 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0135 0.0224
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Loa Loa (eye worm) cytochrome P450 family protein 0.0011 0.006 0.0059
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Loa Loa (eye worm) hypothetical protein 0.0225 1 1
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Onchocerca volvulus 0.0139 0.6024 0.5976
Echinococcus granulosus ATP binding cassette sub family G 0.0011 0.0081 0.009
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0011 0.0081 0.0948
Trichomonas vaginalis abcb9, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0119 0.0131
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0139 0.6024 1
Leishmania major cytochrome p450-like protein 0.0028 0.0857 0.1336
Loa Loa (eye worm) hypothetical protein 0.0012 0.0106 0.0105
Onchocerca volvulus 0.0019 0.0425 0.031
Schistosoma mansoni multidrug resistance protein 0.0012 0.0119 0.0119
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0011 0.0081 0.0036
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.0119 0.0197
Brugia malayi Common central domain of tyrosinase family protein 0.0225 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0119 0.0131
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0425 0.4961
Brugia malayi Cytochrome P450 family protein 0.0028 0.0857 0.0857
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0026 0.0746 0.1238
Loa Loa (eye worm) fibroinase 0.0019 0.0425 0.0424
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0012 0.0119 0.0117
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0026 0.0746 0.0746
Toxoplasma gondii cathepsin CPL 0.0019 0.0425 0.0613
Onchocerca volvulus 0.0013 0.0135 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0119 0.0131
Echinococcus granulosus geminin 0.0205 0.906 1
Toxoplasma gondii diaminopimelate decarboxylase 0.0139 0.6024 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0225 1 1
Trichomonas vaginalis abcb9, putative 0.0012 0.0119 0.0197
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0011 0.006 0.0099
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.0139 0.6024 0.6024
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0119 0.0197
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0119 0.0131
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0425 0.0469
Trypanosoma cruzi cruzipain precursor, putative 0.0019 0.0425 0.4961
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0026 0.0746 0.1238
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0026 0.0746 0.8706
Loa Loa (eye worm) multidrug resistance protein 3 0.0012 0.0119 0.0117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0012 0.0119 0.0099
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0425 0.0425
Plasmodium falciparum ABC transporter G family member 2 0.0011 0.0081 0.0135
Echinococcus multilocularis 0.0011 0.006 0.0066
Echinococcus multilocularis ATP binding cassette sub family G 0.0011 0.0081 0.009
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0135 0.0224
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Entamoeba histolytica cysteine protease, putative 0.0019 0.0425 0.0705
Plasmodium falciparum multidrug resistance protein 1 0.0012 0.0119 0.0197
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0081 0.0036
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0857 1
Entamoeba histolytica P-glycoprotein-2 0.0012 0.0119 0.0197
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0425 0.0705
Brugia malayi Cathepsin L-like precursor 0.0013 0.0135 0.0135
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0425 0.4961
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0857 0.1336
Onchocerca volvulus 0.0019 0.0425 0.031
Plasmodium vivax vivapain-2 0.0019 0.0425 0.0705
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0026 0.0746 0.0823
Schistosoma mansoni hypothetical protein 0.0205 0.906 0.906
Onchocerca volvulus 0.0019 0.0425 0.031
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0139 0.6024 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0012 0.0119 0.0099
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0026 0.0746 0.8706
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0119 0.0197
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0026 0.0746 0.0823
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0425 0.0705
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0425 0.0469
Brugia malayi multidrug resistance protein 3 0.0012 0.0119 0.0119
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0135 0.0135
Loa Loa (eye worm) ctsf protein 0.0019 0.0425 0.0424
Echinococcus multilocularis ATP binding cassette sub family G 0.0011 0.0081 0.009
Trypanosoma brucei ABC transporter, putative 0.0011 0.0081 0.0135
Giardia lamblia Ornithine decarboxylase 0.0139 0.6024 1
Onchocerca volvulus 0.0225 1 1
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0857 0.0855
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0425 0.0705
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0119 0.0197
Schistosoma mansoni multidrug resistance protein 0.0012 0.0119 0.0119
Brugia malayi Cytochrome P450 family protein 0.0028 0.0857 0.0857
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0026 0.0746 0.0745
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0081 0.0036
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Echinococcus granulosus ATP binding cassette sub family G 0.0011 0.0081 0.009
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0026 0.0746 0.0746
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0425 0.4961
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0139 0.6024 1
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0857 0.1422
Echinococcus multilocularis multidrug resistance protein 1 0.0012 0.0119 0.0131
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0425 0.0705
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0012 0.0119 0.0117
Echinococcus granulosus ATP binding cassette sub family G 0.0011 0.0081 0.009
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0011 0.0081 0.0036
Onchocerca volvulus 0.0019 0.0425 0.031
Echinococcus multilocularis cysteine protease 0.0019 0.0425 0.0469
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0119 0.0131
Brugia malayi ABC transporter family protein 0.0012 0.0119 0.0119
Brugia malayi cathepsin L-like precursor 0.0013 0.0135 0.0135
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0135 0.0224
Echinococcus multilocularis cysteine protease 0.0019 0.0425 0.0469
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0011 0.006 0.0697
Trichomonas vaginalis ornithine decarboxylase, putative 0.0139 0.6024 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0011 0.006 0.0697
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Trypanosoma cruzi ABC transporter, putative 0.0011 0.0081 0.0948
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0857 0.0855
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0013 0.0135 0.1579
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0425 0.0705
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0026 0.0746 0.1238
Loa Loa (eye worm) hypothetical protein 0.0013 0.0135 0.0134
Loa Loa (eye worm) ShTK domain-containing protein 0.0225 1 1
Onchocerca volvulus 0.0225 1 1
Brugia malayi cytochrome P450 0.0011 0.006 0.006
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0012 0.0119 0.0131
Echinococcus granulosus cathepsin l1 0.0019 0.0425 0.0469
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0012 0.0119 0.0099
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0012 0.0119 0.0131
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0135 0.0135
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0425 0.4961
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0857 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0054 0.2047 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Onchocerca volvulus 0.0019 0.0425 0.031
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0012 0.0106 0.0117
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0011 0.0081 0.0036
Loa Loa (eye worm) hypothetical protein 0.0019 0.0425 0.0424
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0425 0.031
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0012 0.0119 0.0197
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0012 0.0119 0.0099
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0857 0.0855
Brugia malayi ABC transporter family protein 0.001 0.0001 0.0001
Entamoeba histolytica P-glycoprotein-1 0.0012 0.0119 0.0197
Entamoeba histolytica ornithine decarboxylase, putative 0.0139 0.6024 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0011 0.0081 0.0036
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0425 0.0424
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0225 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0019 0.0425 0.0705
Loa Loa (eye worm) cytochrome P450 0.0011 0.006 0.0059
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0012 0.0119 0.0197
Trichomonas vaginalis ABC transporter, putative 0.0012 0.0119 0.0197
Loa Loa (eye worm) hypothetical protein 0.0017 0.0345 0.0344
Schistosoma mansoni smdr2 0.0012 0.0119 0.0119
Leishmania major cathepsin L-like protease 0.0019 0.0425 0.0613
Brugia malayi Cathepsin L-like precursor 0.0019 0.0425 0.0425
Onchocerca volvulus 0.0019 0.0425 0.031
Leishmania major cysteine peptidase A (CPA) 0.0019 0.0425 0.0613
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0425 0.0425
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0425 0.0705
Trypanosoma brucei ATP-binding cassette protein, putative 0.0011 0.0081 0.0135
Echinococcus multilocularis ATP binding cassette sub family G 0.0011 0.0081 0.009
Loa Loa (eye worm) tyrosinase 1 0.0225 1 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0012 0.0119 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 16.3601 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) 18.526 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.