Detailed information for compound 1282223

Basic information

Technical information
  • TDR Targets ID: 1282223
  • Name: ethyl 4-[(2-chloro-4-fluorophenyl)sulfamoyl]- 1,2,5-trimethylpyrrole-3-carboxylate
  • MW: 388.842 | Formula: C16H18ClFN2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c(c1S(=O)(=O)Nc1ccc(cc1Cl)F)C)C
  • InChi: 1S/C16H18ClFN2O4S/c1-5-24-16(21)14-9(2)20(4)10(3)15(14)25(22,23)19-13-7-6-11(18)8-12(13)17/h6-8,19H,5H2,1-4H3
  • InChiKey: NLEQFAAIPCNGTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-[(2-chloro-4-fluoro-phenyl)sulfamoyl]-1,2,5-trimethyl-pyrrole-3-carboxylate
  • 4-[(2-chloro-4-fluorophenyl)sulfamoyl]-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester
  • 4-[(2-chloro-4-fluoro-phenyl)sulfamoyl]-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0343 0.4222 0.7932
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.9933
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0319 0.0565
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Loa Loa (eye worm) CHromoDomain protein family member 0.0023 0.005 0.018
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.9933
Brugia malayi SET domain containing protein 0.0023 0.005 0.018
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0537 0.1927
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0082 0.0826 1
Schistosoma mansoni chromobox protein 0.0023 0.005 0.0119
Echinococcus multilocularis geminin 0.0343 0.4222 0.4222
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.9933
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Schistosoma mansoni hypothetical protein 0.0023 0.005 0.0119
Schistosoma mansoni DNA polymerase eta 0.002 0.0008 0.0019
Loa Loa (eye worm) hypothetical protein 0.0078 0.0774 0.2779
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0441 0.5505 1
Brugia malayi hypothetical protein 0.0023 0.005 0.018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.005 0.005
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.005 0.0119
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0441 0.5505 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.2784 0.2784
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0456 0.0621
Brugia malayi chromobox protein homolog 3 0.0078 0.0774 0.2779
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0084 0.0851 1
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0441 0.5505 1
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0456 0.0856
Entamoeba histolytica hypothetical protein 0.0023 0.005 0.9933
Mycobacterium leprae Probable lipase LipE 0.0043 0.0319 0.0366
Brugia malayi beta-lactamase family protein 0.0043 0.0319 0.1144
Onchocerca volvulus 0.0043 0.0319 0.335
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0233 0.2784 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0023 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Echinococcus granulosus FTZ F1 alpha 0.0427 0.5323 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0029
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0008 0.0029
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.005 0.0077
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Loa Loa (eye worm) hypothetical protein 0.0082 0.0826 0.2966
Mycobacterium tuberculosis Conserved protein 0.0043 0.0319 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.005 0.0004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0233 0.2784 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2784 0.6594
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.005 1
Trichomonas vaginalis Heterochromatin protein, putative 0.0023 0.005 0.0268
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Schistosoma mansoni chromobox protein 0.014 0.1575 0.3731
Loa Loa (eye worm) hypothetical protein 0.0041 0.0288 0.1035
Echinococcus multilocularis Chromobox protein 3 0.0023 0.005 0.005
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.005 0.1362
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0441 0.5505 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0319 0.1144
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 0.1488
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0023 0.005 0.0119
Loa Loa (eye worm) beta-lactamase 0.0043 0.0319 0.1144
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0441 0.5505 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0082 0.0826 0.1552
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0441 0.5505 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Schistosoma mansoni peptidase Clp (S14 family) 0.0082 0.0826 0.1956
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0537 0.1927
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0008 0.0019
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0319 0.0565
Brugia malayi beta-lactamase family protein 0.0043 0.0319 0.1144
Mycobacterium ulcerans hypothetical protein 0.0043 0.0319 0.0565
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0537 0.1927
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0008 0.0015
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0319 0.0565
Trichomonas vaginalis esterase, putative 0.0043 0.0319 0.1981
Onchocerca volvulus 0.0043 0.0319 0.335
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.005 0.1362
Trichomonas vaginalis chromobox protein, putative 0.0023 0.005 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0774 0.4886
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 0.1488
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0319 0.1981
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0851 0.5382
Toxoplasma gondii hypothetical protein 0.0028 0.0122 0.0924
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0023 0.005 0.0119
Echinococcus multilocularis dna polymerase kappa 0.002 0.0008 0.0008
Brugia malayi Heterochromatin protein 1 0.014 0.1575 0.5657
Mycobacterium ulcerans lipase LipD 0.0043 0.0319 0.0565
Brugia malayi Valyl-tRNA synthetase 0.0023 0.005 0.018
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0319 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0319 0.1981
Onchocerca volvulus 0.0061 0.0553 0.6276
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0319 0.346
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0319 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0319 0.1981
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0008 0.0029
Mycobacterium tuberculosis Conserved protein 0.0043 0.0319 0.0565
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Toxoplasma gondii exonuclease III APE 0.0023 0.005 0.0004
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0023 0.005 0.0094
Trichomonas vaginalis chromobox protein, putative 0.0023 0.005 0.0268
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0023 0.005 0.018
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.005 0.1362
Echinococcus granulosus chromobox protein 1 0.014 0.1575 0.2959
Brugia malayi beta-lactamase 0.0043 0.0319 0.1144
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Mycobacterium ulcerans beta-lactamase 0.0043 0.0319 0.0565
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.0268
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.0268
Schistosoma mansoni hypothetical protein 0.0343 0.4222 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0023 0.005 0.005
Brugia malayi Probable ClpP-like protease 0.0082 0.0826 0.2966
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Schistosoma mansoni ap endonuclease 0.0023 0.005 0.0119
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0082 0.0826 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.0268
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0008 0.0019
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0441 0.5505 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0319 0.0319
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0456 0.0814
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.2784 0.5231
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2784 0.6594
Echinococcus granulosus dna polymerase eta 0.002 0.0008 0.0015
Brugia malayi Protein cec-1. 0.0023 0.005 0.018
Mycobacterium ulcerans hypothetical protein 0.0441 0.5505 1
Echinococcus multilocularis chromobox protein 1 0.014 0.1575 0.1575
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.005 0.0095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Leishmania major hypothetical protein, conserved 0.0043 0.0319 1
Brugia malayi CHD4 protein 0.0023 0.005 0.018
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0826 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0319 0.0565
Toxoplasma gondii ABC1 family protein 0.0043 0.0319 0.346
Mycobacterium ulcerans two component transcriptional regulator 0.0441 0.5505 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0023 0.005 0.0119
Echinococcus granulosus chromobox protein 2 0.0023 0.005 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0475 0.2982
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.005 0.027
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0475 0.2982
Echinococcus multilocularis chromobox protein 2 0.0023 0.005 0.005
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.0268
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0082 0.0826 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.005 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Schistosoma mansoni hypothetical protein 0.0343 0.4222 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0023 0.005 0.0268
Echinococcus multilocularis Chromo domain 0.0023 0.005 0.005
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0319 0.1981
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0319 0.1981
Loa Loa (eye worm) hypothetical protein 0.0061 0.0553 0.1986
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0774 0.4886
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0122 0.0924
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0028 0.0122 0.0924
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0319 0.1144
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.005 0.0181
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0122 0.092
Loa Loa (eye worm) heterochromatin protein 1 0.014 0.1575 0.5657
Loa Loa (eye worm) helicase 0.0023 0.005 0.018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0319 0.0754
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0008 0.0029
Trichomonas vaginalis chromobox protein, putative 0.014 0.1575 1
Mycobacterium ulcerans putative regulatory protein 0.0441 0.5505 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0082 0.0826 0.1308
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0288 0.1035
Brugia malayi M-phase phosphoprotein, mpp8 0.0023 0.005 0.018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3373 0.6122
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0441 0.5505 1
Echinococcus multilocularis chromobox protein 1 0.014 0.1575 0.1575
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.005 0.027
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0319 0.0565
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.005 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0023 0.005 0.0119
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.005 0.0004
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0456 0.0814
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0078 0.0774 0.9031
Loa Loa (eye worm) hypothetical protein 0.006 0.0537 0.1927
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0319 0.0754
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.005 0.1362
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0023 0.005 0.0094
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0319 0.0366
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0023 0.005 0.0268
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0319 0.0565
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.005 0.0268
Schistosoma mansoni chromobox protein 0.014 0.1575 0.3731
Loa Loa (eye worm) hypothetical protein 0.0043 0.0319 0.1144
Echinococcus granulosus dna polymerase kappa 0.002 0.0008 0.0015
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0456 0.0456
Entamoeba histolytica hypothetical protein 0.0023 0.005 0.9933
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.2784 0.5231
Trichomonas vaginalis hypothetical protein 0.0023 0.005 0.0268
Onchocerca volvulus 0.0043 0.0319 0.335
Schistosoma mansoni hypothetical protein 0.0041 0.0288 0.0683
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0441 0.5505 1
Schistosoma mansoni chromobox protein 0.0023 0.005 0.0119
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0319 0.0565
Trichomonas vaginalis chromobox protein, putative 0.014 0.1575 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.2784 0.2784
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0319 0.0565
Loa Loa (eye worm) hypothetical protein 0.0023 0.005 0.018
Echinococcus multilocularis dna polymerase eta 0.002 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0023 0.005 0.9933
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0082 0.0826 0.0826
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0319 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0319 1
Schistosoma mansoni ap endonuclease 0.0023 0.005 0.0119
Trichomonas vaginalis chromobox protein, putative 0.0023 0.005 0.0268
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0851 0.5382
Echinococcus granulosus Chromobox protein 3 0.0023 0.005 0.0094
Brugia malayi Associated with TFs and helicases family protein 0.0023 0.005 0.018
Echinococcus granulosus chromobox protein 1 0.014 0.1575 0.2959
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.005 0.0077
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0319 0.0598
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0008 0.0008
Mycobacterium tuberculosis Conserved protein 0.0043 0.0319 0.0565
Echinococcus granulosus Chromo domain 0.0023 0.005 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.2784 0.6594

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 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) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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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