Detailed information for compound 1299451

Basic information

Technical information
  • TDR Targets ID: 1299451
  • Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]- N-(3,5-dimethylphenyl)piperazine-1-carbothioa mide
  • MW: 428.902 | Formula: C19H20ClF3N4S
  • H donors: 1 H acceptors: 1 LogP: 4.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc(c1)C)NC(=S)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C19H20ClF3N4S/c1-12-7-13(2)9-15(8-12)25-18(28)27-5-3-26(4-6-27)17-16(20)10-14(11-24-17)19(21,22)23/h7-11H,3-6H2,1-2H3,(H,25,28)
  • InChiKey: UUFYQUCXFRJEIR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide
  • 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide
  • Maybridge1_007943
  • 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,5-dimethylphenyl)tetrahydropyrazine-1(2H)-carbothioamide
  • MLS000862029
  • SMR000461111

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative 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
Schistosoma japonicum Short transient receptor potential channel 5, putative 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
Schistosoma mansoni transient receptor potential channel 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein 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 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
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1098 0.6793 0.73
Echinococcus multilocularis caspase 2 0.0185 0.0911 0.0911
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.1053 0.6502 0.6502
Trypanosoma cruzi polo-like protein kinase, putative 0.0514 0.303 0.3023
Echinococcus multilocularis hexokinase 0.1596 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0054 0.0044
Entamoeba histolytica hypothetical protein 0.0078 0.0222 0.0212
Loa Loa (eye worm) hypothetical protein 0.0185 0.0911 0.0911
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0222 0.0212
Entamoeba histolytica hexokinase 2 0.1596 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0054 0.0054
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.0222 0.0222
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0578 0.0568
Echinococcus multilocularis caspase 3 0.0507 0.2984 0.2984
Loa Loa (eye worm) glutaminase 0.1488 0.9301 0.9301
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Entamoeba histolytica hypothetical protein 0.0078 0.0222 0.0212
Trypanosoma brucei metacaspase MCA2 0.0185 0.0911 0.0902
Onchocerca volvulus Hexokinase homolog 0.1002 0.6169 0.5785
Mycobacterium ulcerans glutaminase 0.1488 0.9301 1
Schistosoma mansoni transient receptor potential channel 0.0078 0.0219 0.0208
Mycobacterium ulcerans hypothetical protein 0.0133 0.0578 0.0611
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0139
Leishmania major metacaspase, putative 0.0185 0.0911 0.0902
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0133 0.0578 0.0611
Loa Loa (eye worm) hypothetical protein 0.0117 0.0474 0.0474
Schistosoma mansoni transient receptor potential channel 0.0078 0.0219 0.0208
Plasmodium falciparum hexokinase 0.1596 1 1
Giardia lamblia Kinase, PLK 0.0514 0.303 0.4453
Loa Loa (eye worm) hexokinase 0.1002 0.6169 0.6169
Leishmania major hexokinase, putative 0.1596 1 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.0149 0.0149
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0688 0.4149 0.3563
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0054 0.0054
Treponema pallidum hexokinase (hxk) 0.1596 1 1
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0578 0.0568
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0149 0.0149
Trypanosoma cruzi metacaspase, putative 0.0185 0.0911 0.0902
Loa Loa (eye worm) hypothetical protein 0.1089 0.6731 0.6731
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0692 0.4176 0.4176
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0688 0.4149 0.4455
Loa Loa (eye worm) hypothetical protein 0.0508 0.2988 0.2988
Schistosoma mansoni glutaminase 0.1488 0.9301 0.93
Loa Loa (eye worm) hexokinase 0.1596 1 1
Echinococcus multilocularis hexokinase 0.1596 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0139
Echinococcus multilocularis citrate lyase subunit beta protein 0.0133 0.0578 0.0578
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1098 0.6793 0.6471
Trypanosoma cruzi hexokinase, putative 0.1596 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0054 0.0054
Trichomonas vaginalis CAMK family protein kinase 0.0255 0.1358 0.1451
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0054 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0054 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0054 0.0044
Mycobacterium ulcerans lipoprotein LpqF 0.0139 0.0615 0.0651
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.1053 0.6502 0.6987
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0219 0.0219
Schistosoma mansoni hypothetical protein 0.0078 0.0222 0.0212
Loa Loa (eye worm) hexokinase 0.0494 0.29 0.29
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.0474 0.0464
Onchocerca volvulus 0.1596 1 1
Brugia malayi 6-phosphogluconolactonase family protein 0.0045 0.001 0.001
Trypanosoma brucei metacaspase MCA3 0.0185 0.0911 0.0902
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.029 0.1585 0.1695
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0045 0.001 0.001
Trypanosoma brucei polo-like protein kinase 0.0514 0.303 0.3023
Echinococcus granulosus caspase 2 0.0185 0.0911 0.0911
Entamoeba histolytica hypothetical protein 0.0078 0.0222 0.0212
Trypanosoma brucei hexokinase, putative 0.1596 1 1
Brugia malayi RNA binding protein 0.0067 0.0149 0.0149
Loa Loa (eye worm) MH2 domain-containing protein 0.0514 0.3029 0.3029
Trichomonas vaginalis CAMK family protein kinase 0.0255 0.1358 0.1451
Leishmania major hexokinase, putative 0.1596 1 1
Brugia malayi Hexokinase family protein 0.1002 0.6169 0.6169
Brugia malayi glucose-6-phosphate dehydrogenase 0.1053 0.6502 0.6502
Echinococcus multilocularis caspase 8 0.0185 0.0911 0.0911
Plasmodium vivax hexokinase, putative 0.1596 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0078 0.0078
Brugia malayi hexokinase type II 0.0508 0.2988 0.2988
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0185 0.0911 0.0911
Trypanosoma brucei metacaspase 0.0185 0.0911 0.0902
Entamoeba histolytica hexokinase 1 0.1596 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.0219 0.0219
Echinococcus granulosus caspase 3 0.0507 0.2984 0.2984
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Schistosoma mansoni hexokinase 0.1596 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0054 0.0054
Brugia malayi Cell death protein 3 precursor 0.0185 0.0911 0.0911
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.1053 0.6502 0.6498
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0149 0.0149
Trypanosoma brucei metacaspase 5, putative 0.0185 0.0911 0.0902
Brugia malayi serine/threonine-protein kinase plk-2 0.0514 0.303 0.303
Schistosoma mansoni transient receptor potential channel 0.0117 0.0474 0.0464
Onchocerca volvulus 0.1002 0.6169 0.5785
Brugia malayi MH2 domain containing protein 0.0514 0.3029 0.3029
Leishmania major hypothetical protein, conserved 0.1158 0.7176 0.7173
Echinococcus multilocularis hexokinase type 2 0.1596 1 1
Onchocerca volvulus 0.1596 1 1
Echinococcus granulosus caspase 0.0692 0.4176 0.4176
Brugia malayi Hexokinase family protein 0.0494 0.29 0.29
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0219 0.0219
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.1053 0.6502 0.6502
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0149 0.0149
Onchocerca volvulus 0.1596 1 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0349 0.1967 0.1958
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0133 0.0578 0.0611
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0514 0.303 0.303
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0692 0.4176 0.4176
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0185 0.0911 0.0902
Trypanosoma brucei hexokinase 0.1596 1 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.029 0.1585 0.6743
Schistosoma mansoni serine/threonine protein kinase 0.0514 0.303 0.3023
Trypanosoma cruzi metacaspase, putative 0.0185 0.0911 0.0902
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1098 0.6793 0.6471
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.1053 0.6502 0.6502
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0514 0.303 0.3023
Trypanosoma brucei Metacaspase-4 0.0185 0.0911 0.0902
Echinococcus granulosus hexokinase 0.1596 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0078 0.0078
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Trypanosoma brucei beta lactamase 0.0139 0.0615 0.0605
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.1053 0.6502 0.6498
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Schistosoma mansoni caspase-7 (C14 family) 0.0185 0.0911 0.0902
Loa Loa (eye worm) hexokinase type II 0.1596 1 1
Loa Loa (eye worm) glutaminase 2 0.1488 0.9301 0.9301
Entamoeba histolytica hypothetical protein 0.0078 0.0222 0.0212
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0514 0.303 0.303
Echinococcus granulosus tar DNA binding protein 0.0067 0.0149 0.0149
Entamoeba histolytica serine/threonine protein kinase, putative 0.0514 0.303 0.3023
Trypanosoma cruzi hypothetical protein, conserved 0.1158 0.7176 0.7173
Mycobacterium ulcerans hypothetical protein 0.0133 0.0578 0.0611
Brugia malayi TAR-binding protein 0.0067 0.0149 0.0149
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0133 0.0578 0.0611
Loa Loa (eye worm) hypothetical protein 0.0074 0.0193 0.0193
Trypanosoma cruzi hexokinase, putative 0.1596 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0139
Echinococcus granulosus citrate lyase subunit beta protein 0.0133 0.0578 0.0578
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Toxoplasma gondii hexokinase 0.1596 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1098 0.6793 0.73
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.0474 0.0474
Schistosoma mansoni caspase-7 (C14 family) 0.0692 0.4176 0.417
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0078 0.0078
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.1053 0.6502 0.6498
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.1053 0.6502 0.6498
Schistosoma mansoni caspase-3 (C14 family) 0.0692 0.4176 0.417
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0139 0.0615 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0139
Echinococcus multilocularis hexokinase 0.1596 1 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0133 0.0578 0.0568
Trypanosoma brucei hypothetical protein, conserved 0.1158 0.7176 0.7173
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.0449 0.0449
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0365 0.2072 1
Trypanosoma cruzi metacaspase, putative 0.0185 0.0911 0.0902
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0139 0.0615 0.0248
Trichomonas vaginalis glutaminase, putative 0.1488 0.9301 1
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.0474 0.0474
Trypanosoma cruzi metacaspase, putative 0.0185 0.0911 0.0902
Echinococcus granulosus hexokinase type 2 0.1596 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0149 0.0149
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.0219 0.0219
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.1053 0.6502 1
Echinococcus granulosus caspase 8 0.0185 0.0911 0.0911
Trypanosoma cruzi polo-like protein kinase, putative 0.0514 0.303 0.3023
Brugia malayi hypothetical protein 0.0078 0.0222 0.0222
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0339 0.1902 0.1893
Loa Loa (eye worm) hexokinase 0.1596 1 1
Schistosoma mansoni kinase 0.0261 0.1402 0.1393
Echinococcus multilocularis caspase 0.0692 0.4176 0.4176
Trypanosoma brucei hexokinase 0.1596 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0185 0.0911 0.0902
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0514 0.303 0.303
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1098 0.6793 1
Brugia malayi Hexokinase family protein 0.1596 1 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.1053 0.6502 0.6498
Echinococcus granulosus hexokinase 0.1596 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0222 0.0222
Loa Loa (eye worm) hypothetical protein 0.0185 0.0911 0.0911
Echinococcus multilocularis 6 phosphogluconolactonase 0.0045 0.001 0.001
Trichomonas vaginalis CAMK family protein kinase 0.0514 0.303 0.325
Brugia malayi glutaminase DH11.1 0.1488 0.9301 0.9301
Onchocerca volvulus Serine\/threonine kinase homolog 0.0514 0.303 0.2332
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0133 0.0578 0.0611
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Echinococcus granulosus 6 phosphogluconolactonase 0.0045 0.001 0.001
Echinococcus granulosus hexokinase 0.1596 1 1
Loa Loa (eye worm) hypothetical protein 0.0508 0.2988 0.2988
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0054 0.0054
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1098 0.6793 0.6471
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Trypanosoma cruzi hypothetical protein, conserved 0.1158 0.7176 0.7173
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.0449 0.0449
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0149 0.0139
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Trypanosoma cruzi metacaspase 5, putative 0.0185 0.0911 0.0902
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1098 0.6793 0.73
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.0911 0.0969
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0185 0.0911 0.0969
Loa Loa (eye worm) transcription factor SMAD2 0.0514 0.3029 0.3029

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 2.66 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
Potency (functional) 2.0787 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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