Detailed information for compound 1286715

Basic information

Technical information
  • TDR Targets ID: 1286715
  • Name: 4-bromo-N-(4,6-dimethylpyrimidin-2-yl)benzami de
  • MW: 306.158 | Formula: C13H12BrN3O
  • H donors: 1 H acceptors: 3 LogP: 2.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)Nc1nc(C)cc(n1)C
  • InChi: 1S/C13H12BrN3O/c1-8-7-9(2)16-13(15-8)17-12(18)10-3-5-11(14)6-4-10/h3-7H,1-2H3,(H,15,16,17,18)
  • InChiKey: XETMMFGTFSSYLZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-bromo-N-(4,6-dimethyl-2-pyrimidinyl)benzamide
  • A2671/0113782
  • ZINC00090880

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain 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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0009 0.0051
Loa Loa (eye worm) hypothetical protein 0.005 0.0345 0.0743
Entamoeba histolytica P-glycoprotein-2 0.0022 0.0009 0.0104
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0135 0.1352 0.1352
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0174 0.1814 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0345 0.2549
Entamoeba histolytica P-glycoprotein-2, putative 0.0022 0.0009 0.0104
Trichomonas vaginalis taga, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis abcb9, putative 0.0022 0.0009 0.0051
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0025 0.0038 0.0158
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.0009 0.0009
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0096 0.0889 1
Loa Loa (eye worm) ABC transporter 0.0022 0.0009 0.002
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0661 0.4887
Loa Loa (eye worm) ABC transporter 0.0022 0.0009 0.002
Echinococcus granulosus multidrug resistance associated protein 7 0.0096 0.0889 0.6576
Schistosoma mansoni smdr2 0.0022 0.0009 0.0069
Brugia malayi intermediate filament protein 0.0033 0.0134 0.0814
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0025 0.0038 0.023
Trichomonas vaginalis abcb9, putative 0.0022 0.0009 0.0051
Trypanosoma brucei p-glycoprotein 0.0096 0.0889 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0095 0.088 0.6507
Trypanosoma cruzi multidrug resistance protein E, putative 0.0096 0.0889 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Echinococcus granulosus tar DNA binding protein 0.0077 0.0661 0.4887
Schistosoma mansoni multidrug resistance protein 0.0096 0.0889 0.6576
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0025 0.0038 0.0158
Brugia malayi Cytochrome P450 family protein 0.0036 0.0173 0.1055
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0661 0.4887
Schistosoma mansoni multidrug resistance protein 0.0022 0.0009 0.0069
Entamoeba histolytica P-glycoprotein 6, putative 0.0022 0.0009 0.0104
Echinococcus multilocularis GPCR, family 2 0.005 0.0345 0.0345
Schistosoma mansoni hypothetical protein 0.005 0.0345 0.2549
Brugia malayi ABC transporter family protein 0.0022 0.0009 0.0056
Schistosoma mansoni smdr1 0.0022 0.0009 0.0069
Schistosoma mansoni multidrug resistance protein 0.0096 0.0889 0.6576
Loa Loa (eye worm) hypothetical protein 0.0095 0.088 0.1897
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0025 0.0038 0.0158
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0025 0.0038 0.0158
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0009 0.0069
Echinococcus multilocularis lamin dm0 0.0033 0.0134 0.0134
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0009 0.0051
Plasmodium falciparum ornithine aminotransferase 0.0025 0.0038 1
Brugia malayi RNA recognition motif domain containing protein 0.0077 0.0661 0.4019
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0025 0.0038 1
Brugia malayi multidrug resistance related protein 1 0.0096 0.0889 0.5408
Brugia malayi multidrug resistance protein 3 0.0022 0.0009 0.0056
Brugia malayi TAR-binding protein 0.0077 0.0661 0.4019
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0025 0.0038 0.0158
Brugia malayi Calcitonin receptor-like protein seb-1 0.016 0.1644 1
Echinococcus granulosus lamin dm0 0.0033 0.0134 0.099
Giardia lamblia Multidrug resistance-associated protein 1 0.0096 0.0889 0.6576
Echinococcus multilocularis lamin 0.0033 0.0134 0.0134
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Loa Loa (eye worm) hypothetical protein 0.0109 0.1042 0.2247
Echinococcus multilocularis 0.0022 0.0009 0.0009
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0096 0.0889 0.1917
Schistosoma mansoni intermediate filament proteins 0.0033 0.0134 0.099
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0119 0.1156 0.7033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.016 0.1644 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0345 0.2549
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.0038 0.0038
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0345 0.0345
Echinococcus multilocularis tar DNA binding protein 0.0077 0.0661 0.0661
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0009 0.0051
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0009 0.0009
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0345 0.0345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.016 0.1644 0.3544
Echinococcus multilocularis multidrug resistance associated protein 4 0.0074 0.0623 0.0623
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0096 0.0889 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0025 0.0038 0.0158
Echinococcus multilocularis musashi 0.0033 0.0134 0.0134
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0009 0.0051
Brugia malayi hypothetical protein 0.0022 0.0009 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0661 0.4887
Brugia malayi P-glycoprotein-like protein 0.0022 0.0009 0.0056
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0009 0.0009
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0009 0.0009
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0009 0.0051
Echinococcus multilocularis multidrug resistance associated protein 1 0.0096 0.0889 0.0889
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0134 0.0289
Trichomonas vaginalis ABC transporter, putative 0.0022 0.0009 0.0051
Loa Loa (eye worm) hypothetical protein 0.0022 0.0009 0.002
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0134 0.0814
Mycobacterium ulcerans L-lysine aminotransferase 0.0025 0.0038 0.0158
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0174 0.1814 1
Echinococcus granulosus ATP binding cassette sub family B 0.0022 0.0009 0.0069
Echinococcus granulosus intermediate filament protein 0.0033 0.0134 0.099
Schistosoma mansoni multidrug resistance protein 0.0022 0.0009 0.0069
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0289
Entamoeba histolytica ATP-binding cassette protein, putative 0.0096 0.0889 1
Echinococcus granulosus Aminotransferase class III 0.0025 0.0038 0.0279
Mycobacterium ulcerans acetylornithine aminotransferase 0.0025 0.0038 0.0158
Giardia lamblia Multidrug resistance-associated protein 1 0.0096 0.0889 0.6576
Loa Loa (eye worm) multidrug resistance-associated protein 0.0075 0.0632 0.1363
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0009 0.0069
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0009 0.0009
Brugia malayi ABC transporter family protein 0.0022 0.0009 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0661 0.4887
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0119 0.1156 0.8552
Echinococcus granulosus lamin 0.0033 0.0134 0.099
Brugia malayi RNA binding protein 0.0077 0.0661 0.4019
Loa Loa (eye worm) ABC transporter 0.0022 0.0009 0.002
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0009 0.0051
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.016 0.1644 0.3544
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0025 0.0038 0.0158
Brugia malayi ABC transporter 0.0022 0.0009 0.0056
Schistosoma mansoni hypothetical protein 0.005 0.0345 0.2549
Schistosoma mansoni multidrug resistance protein 0.0096 0.0889 0.6576
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0009 0.0009
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0022 0.0009 0.0069
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0096 0.0889 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0009 0.002
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0119 0.1156 0.2493
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Schistosoma mansoni hypothetical protein 0.005 0.0345 0.2549
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0009 0.0069
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0025 0.0038 0.0158
Brugia malayi ABC transporter family protein 0.0022 0.0009 0.0056
Onchocerca volvulus 0.0033 0.0134 1
Echinococcus multilocularis multidrug resistance protein 1 0.0022 0.0009 0.0009
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0022 0.0009 0.002
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0135 0.1352 1
Echinococcus granulosus GPCR family 2 0.005 0.0345 0.2549
Echinococcus granulosus ATP binding cassette sub family B 0.0022 0.0009 0.0069
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0025 0.0038 0.0158
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0096 0.0889 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0077 0.0661 0.1424
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Echinococcus granulosus ornithine aminotransferase 0.0025 0.0038 0.0279
Mycobacterium tuberculosis Probable aminotransferase 0.0174 0.1814 1
Schistosoma mansoni hypothetical protein 0.0109 0.1042 0.7711
Brugia malayi ABC transporter transmembrane region family protein 0.0022 0.0009 0.0056
Loa Loa (eye worm) hypothetical protein 0.0135 0.1352 0.2915
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0096 0.0889 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.4638 1
Entamoeba histolytica multidrug resistance protein, putative 0.0096 0.0889 1
Trypanosoma cruzi hypothetical protein 0.0074 0.0623 0.6976
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Entamoeba histolytica ABC transporter, putative 0.0096 0.0889 1
Entamoeba histolytica P-glycoprotein-2 0.0022 0.0009 0.0104
Brugia malayi Latrophilin receptor protein 2 0.005 0.0345 0.2096
Schistosoma mansoni multidrug resistance protein 0.0022 0.0009 0.0069
Giardia lamblia MRP-like ABC transporter 0.0096 0.0889 0.6576
Echinococcus granulosus multidrug resistance associated protein 4 0.0074 0.0623 0.4608
Echinococcus multilocularis ATP binding cassette sub family B 0.0022 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0096 0.0889 0.1917
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0345 0.0743
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0096 0.0889 0.19
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0119 0.1156 0.1156
Loa Loa (eye worm) hypothetical protein 0.0411 0.4638 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0096 0.0889 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0411 0.4638 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0174 0.1814 1
Brugia malayi ABC transporter family protein 0.0022 0.0009 0.0056
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0096 0.0889 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Toxoplasma gondii hypothetical protein 0.0411 0.4638 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0022 0.0009 0.0051
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0009 0.0069
Schistosoma mansoni lamin 0.0033 0.0134 0.099
Onchocerca volvulus 0.0033 0.0134 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0025 0.0038 0.0279
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0345 0.2096
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0174 0.1814 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0135 0.1352 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0022 0.0009 0.0104
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Brugia malayi ABC transporter transmembrane region family protein 0.0096 0.0889 0.5408
Schistosoma mansoni tar DNA-binding protein 0.0077 0.0661 0.4887
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Schistosoma mansoni multidrug resistance protein 0.0022 0.0009 0.0069
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0025 0.0038 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0025 0.0038 0.0158
Entamoeba histolytica P-glyco protein 6, putative 0.0022 0.0009 0.0104
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0022 0.0009 0.0051
Loa Loa (eye worm) cytochrome P450 family protein 0.0036 0.0173 0.0374
Loa Loa (eye worm) hypothetical protein 0.0032 0.0127 0.0273
Schistosoma mansoni multidrug resistance protein 0.0096 0.0889 0.6576
Schistosoma mansoni lamin 0.0033 0.0134 0.099
Trichomonas vaginalis abcb9, putative 0.0022 0.0009 0.0051
Entamoeba histolytica P-glycoprotein-1 0.0022 0.0009 0.0104
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0134 0.0289
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0009 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.1042 0.6342
Loa Loa (eye worm) RNA binding protein 0.0077 0.0661 0.1424
Loa Loa (eye worm) hypothetical protein 0.0096 0.0889 0.1917
Schistosoma mansoni hypothetical protein 0.005 0.0345 0.2549
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0022 0.0009 0.0051
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0022 0.0009 0.0051
Loa Loa (eye worm) TAR-binding protein 0.0077 0.0661 0.1424
Loa Loa (eye worm) multidrug resistance protein 3 0.0022 0.0009 0.002
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0096 0.0889 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0135 0.1352 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0096 0.0889 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0096 0.0889 1
Entamoeba histolytica P-glycoprotein-5 0.0022 0.0009 0.0104
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0009 0.0069
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0135 0.1352 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0096 0.0889 0.6576
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0022 0.0009 0.0056
Leishmania major p-glycoprotein e 0.0096 0.0889 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.4638 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0009 0.002
Giardia lamblia ABC transporter, putative 0.0096 0.0889 0.6576
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0022 0.0009 0.0051
Entamoeba histolytica hypothetical protein 0.0096 0.0889 1
Echinococcus granulosus multidrug resistance protein 1 0.0022 0.0009 0.0069
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0135 0.1352 0.29
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0025 0.0038 0.0158
Entamoeba histolytica ATP-binding cassette protein, putative 0.0096 0.0889 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0135 0.1352 0.1352
Echinococcus multilocularis Aminotransferase class III 0.0025 0.0038 0.0038
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0025 0.0038 0.0061
Mycobacterium ulcerans hypothetical protein 0.0174 0.1814 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0022 0.0009 0.0069
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0022 0.0009 0.0009
Plasmodium vivax ornithine aminotransferase, putative 0.0025 0.0038 1
Echinococcus multilocularis ornithine aminotransferase 0.0025 0.0038 0.0038
Echinococcus multilocularis multidrug resistance associated protein 7 0.0096 0.0889 0.0889
Entamoeba histolytica P-glycoprotein 6, putative 0.0022 0.0009 0.0104
Trypanosoma brucei multidrug resistance protein E 0.0096 0.0889 1
Leishmania major ABC-thiol transporter 0.0096 0.0889 1
Leishmania major pentamidine resistance protein 1 0.0096 0.0889 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.7079 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) 16.5113 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) 39.8107 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.

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