Detailed information for compound 1350155

Basic information

Technical information
  • TDR Targets ID: 1350155
  • Name: N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-metho xy-5-methylphenyl)benzamide
  • MW: 392.446 | Formula: C22H17FN2O2S
  • H donors: 0 H acceptors: 2 LogP: 5.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1N(C(=O)c1ccc(cc1)F)c1nc2c(s1)cccc2)C
  • InChi: 1S/C22H17FN2O2S/c1-14-7-12-19(27-2)18(13-14)25(21(26)15-8-10-16(23)11-9-15)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3
  • InChiKey: RFLLVWDNASTDPW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-methoxy-5-methyl-phenyl)benzamide
  • T5765353
  • MLS000389215
  • SMR000255488

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lamin 0.0033 0.3266 0.3238
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0045 0.5392 1
Echinococcus granulosus lysine specific demethylase 5A 0.0071 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.3266 0.3266
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.0041 0.0041
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0899 0.0861
Loa Loa (eye worm) hypothetical protein 0.0032 0.3161 0.3161
Schistosoma mansoni hypothetical protein 0.0019 0.0899 0.0861
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7236 0.7236
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.0697 0.1226
Echinococcus multilocularis multidrug resistance associated protein 1 0.0018 0.0697 0.0697
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8105 0.8097
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Giardia lamblia MRP-like ABC transporter 0.0018 0.0697 1
Schistosoma mansoni hypothetical protein 0.0019 0.0899 0.0861
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0618 0.0618
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0045 0.5392 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0045 0.5392 0.5392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7236 0.7236
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0315 0.0315
Echinococcus granulosus intermediate filament protein 0.0033 0.3266 0.3266
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0899 0.0899
Echinococcus multilocularis multidrug resistance associated protein 7 0.0018 0.0697 0.0697
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.0041 0.0041
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Loa Loa (eye worm) hypothetical protein 0.0018 0.0656 0.0656
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0018 0.0697 0.1226
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.0041 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0899 0.0899
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.7236 0.7236
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5936
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0018 0.0697 0.0697
Entamoeba histolytica hypothetical protein 0.0018 0.0697 0.1226
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.088 0.088
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5938
Trypanosoma brucei trans-sialidase 0.0034 0.3485 0.5938
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7236 0.7236
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.088 0.088
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0899 0.0899
Giardia lamblia Multidrug resistance-associated protein 1 0.0018 0.0697 1
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.0041 0.0041
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5938
Schistosoma mansoni intermediate filament proteins 0.0033 0.3266 0.3238
Leishmania major pentamidine resistance protein 1 0.0018 0.0697 0.1226
Schistosoma mansoni hypothetical protein 0.0041 0.4769 0.4748
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.088 0.088
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0045 0.5392 0.5392
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0899 0.0899
Schistosoma mansoni jumonji domain containing protein 0.0019 0.088 0.0842
Giardia lamblia ABC transporter, putative 0.0018 0.0697 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0041
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.088 0.0842
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Loa Loa (eye worm) hypothetical protein 0.0019 0.088 0.088
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.0041 0.0041
Brugia malayi jmjC domain containing protein 0.0019 0.088 0.0842
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.088 0.088
Echinococcus granulosus lamin dm0 0.0033 0.3266 0.3266
Brugia malayi ABC transporter transmembrane region family protein 0.0018 0.0697 0.0659
Leishmania major p-glycoprotein e 0.0018 0.0697 0.1226
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.0041 0.0041
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.0041 0.0041
Brugia malayi multidrug resistance related protein 1 0.0018 0.0697 0.0659
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0045 0.5392 1
Entamoeba histolytica multidrug resistance protein, putative 0.0018 0.0697 0.1226
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.0697 0.1226
Echinococcus granulosus phd:f box containing protein 0.0019 0.088 0.088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0899 0.0899
Trypanosoma brucei trans-sialidase, putative 0.0034 0.3485 0.5938
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.088 0.088
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 1 1
Trypanosoma brucei trans-sialidase, putative 0.0034 0.3485 0.5938
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8105 0.8097
Echinococcus multilocularis lamin 0.0033 0.3266 0.3266
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3266 0.3266
Loa Loa (eye worm) hypothetical protein 0.0019 0.088 0.088
Echinococcus multilocularis phd:f box containing protein 0.0019 0.088 0.088
Trypanosoma brucei trans-sialidase, putative 0.0034 0.3485 0.5938
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5936
Loa Loa (eye worm) hypothetical protein 0.0019 0.088 0.088
Trypanosoma brucei trans-sialidase, putative 0.0034 0.3485 0.5938
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.088 0.0388
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.088 0.088
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.0041 0.0041
Brugia malayi jmjC domain containing protein 0.0071 1 1
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.088 0.1567
Echinococcus multilocularis musashi 0.0033 0.3266 0.3266
Loa Loa (eye worm) hypothetical protein 0.0015 0.0211 0.0211
Echinococcus granulosus lamin 0.0033 0.3266 0.3266
Schistosoma mansoni multidrug resistance protein 0.0018 0.0697 0.0659
Echinococcus multilocularis multidrug resistance protein 1 0.0014 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0041 0.4769 0.4769
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0014 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0016 0.0315 0.0315
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7236 0.7224
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0618 0.0579
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0014 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3266 0.3266
Schistosoma mansoni lamin 0.0033 0.3266 0.3238
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.088 0.0388
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5936
Schistosoma mansoni multidrug resistance protein 0.0018 0.0697 0.0659
Schistosoma mansoni protein phosphatase 2C 0.0019 0.088 0.0842
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.088 0.088
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.088 0.0388
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0045 0.5392 1
Brugia malayi jmjC domain containing protein 0.0019 0.088 0.0842
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8105 0.8105
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0045 0.5392 1
Entamoeba histolytica ABC transporter, putative 0.0018 0.0697 0.1226
Leishmania major hypothetical protein, conserved 0.0019 0.088 0.1567
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4769 0.4748
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0045 0.5392 0.5392
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7236 0.7224
Onchocerca volvulus 0.0033 0.3266 1
Echinococcus granulosus multidrug resistance protein 1 0.0014 0.0041 0.0041
Giardia lamblia Multidrug resistance-associated protein 1 0.0018 0.0697 1
Schistosoma mansoni multidrug resistance protein 0.0018 0.0697 0.0659
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0045 0.5392 0.5392
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0899 0.0899
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.088 0.088
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.088 0.088
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0315 0.0315
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0014 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7236 0.7236
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.0697 0.1226
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5938
Loa Loa (eye worm) hypothetical protein 0.0018 0.0697 0.0697
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3266 0.3238
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.088 0.088
Schistosoma mansoni jumonji domain containing protein 0.0071 1 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0045 0.5392 0.5373
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0045 0.5392 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0697 0.0697
Loa Loa (eye worm) hypothetical protein 0.006 0.8105 0.8105
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0045 0.5392 1
Brugia malayi intermediate filament protein 0.0033 0.3266 0.3238
Schistosoma mansoni multidrug resistance protein 0.0018 0.0697 0.0659
Schistosoma mansoni hypothetical protein 0.0019 0.0899 0.0861
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 1 1
Brugia malayi jmjC domain containing protein 0.0019 0.088 0.0842
Schistosoma mansoni phd/f-box containing protein 0.0019 0.088 0.0842
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0045 0.5392 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.7236 0.7224
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0018 0.0697 0.1226
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.088 0.0842
Echinococcus multilocularis multidrug resistance protein 1 0.0014 0.0041 0.0041
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0899 0.0861
Trypanosoma cruzi trans-sialidase, putative 0.0034 0.3485 0.5936
Plasmodium vivax JmjC domain containing protein 0.0019 0.088 0.1567
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0018 0.0697 0.1226
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0045 0.5392 0.5373
Loa Loa (eye worm) multidrug resistance protein 3 0.0014 0.0041 0.0041
Echinococcus granulosus multidrug resistance associated protein 7 0.0018 0.0697 0.0697
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0045 0.5392 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0018 0.0697 0.1226
Brugia malayi jmjC domain containing protein 0.0019 0.088 0.0842
Schistosoma mansoni hypothetical protein 0.0019 0.0899 0.0861
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7236 0.7224
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0018 0.0697 0.0697
Leishmania major ABC-thiol transporter 0.0018 0.0697 0.1226
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0018 0.0697 0.1226
Onchocerca volvulus 0.0033 0.3266 1
Trypanosoma brucei trans-sialidase, putative 0.0034 0.3485 0.5938
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0034 0.3485 0.5938
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.088 0.088
Entamoeba histolytica ATP-binding cassette protein, putative 0.0018 0.0697 0.1226
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.088 0.1567
Loa Loa (eye worm) hypothetical protein 0.0015 0.0211 0.0211
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.088 0.1567
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.0041 0.0041
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0045 0.5392 1
Echinococcus granulosus GPCR family 2 0.0019 0.0899 0.0899
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3266 0.3266
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0014 0.0041 0.0041
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0045 0.5392 0.5373
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0014 0.0041 0.0041
Echinococcus multilocularis GPCR, family 2 0.0019 0.0899 0.0899

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1853 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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