Detailed information for compound 652663

Basic information

Technical information
  • TDR Targets ID: 652663
  • Name: methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-pheny l-2,4-dihydro-1H-quinazolin-3-yl]acetate
  • MW: 453.328 | Formula: C23H21BrN2O3
  • H donors: 2 H acceptors: 2 LogP: 5.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2NC1c1ccccc1O
  • InChi: 1S/C23H21BrN2O3/c1-29-21(28)14-26-22(15-7-3-2-4-8-15)18-13-16(24)11-12-19(18)25-23(26)17-9-5-6-10-20(17)27/h2-13,22-23,25,27H,14H2,1H3
  • InChiKey: WPFWCSCBLRIAOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid methyl ester
  • methyl 2-[6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]ethanoate
  • SMR000171792
  • [6-Bromo-2-(2-hydroxy-phenyl)-4-phenyl-1,4-dihydro-2H-quinazolin-3-yl]-acetic acid methyl ester
  • STOCK1S-68512
  • BAS 01051619
  • MLS000553802

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
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0044 0.0475 0.2423
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0479 0.0937
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.047 0.092
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0165 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0043
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.047 0.0692
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.02 0.0761
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Trypanosoma cruzi fatty acid elongase, putative 0.0217 0.2625 1
Trypanosoma brucei Fatty acid elongase 0.0044 0.0475 0.181
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3375 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0296 0.1128
Echinococcus granulosus dnaJ subfamily B 0.0418 0.5109 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Schistosoma mansoni hypothetical protein 0.0063 0.0712 0.1048
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0021 0.0021
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.047 0.095
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.047 0.0692
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.02 0.02
Schistosoma mansoni elongation of fatty acids protein 1 0.0044 0.0475 0.07
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0365 0.1391
Echinococcus multilocularis cpg binding protein 0.0031 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0063 0.0712 0.1048
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Schistosoma mansoni cpg binding protein 0.0029 0.0295 0.0434
Echinococcus multilocularis snurportin 1 0.0314 0.3828 0.3828
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0199 0.2398 0.3532
Brugia malayi fatty acid elongation protein 3 0.0044 0.0475 0.07
Echinococcus multilocularis elongation of very long chain fatty acids 0.0044 0.0475 0.0475
Brugia malayi glutaminase DH11.1 0.0553 0.679 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.02 0.0294
Mycobacterium tuberculosis Conserved protein 0.0043 0.047 0.095
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0712 0.1048
Loa Loa (eye worm) beta-lactamase 0.0043 0.047 0.0692
Brugia malayi GNS1/SUR4 family protein 0.0217 0.2625 0.3866
Loa Loa (eye worm) hypothetical protein 0.0136 0.1617 0.2382
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.047 0.047
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.02 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Onchocerca volvulus 0.0044 0.0475 0.2423
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.047 0.095
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0165 0.0629
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0043 0.0085
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Echinococcus granulosus elongation of very long chain fatty acids 0.0044 0.0475 0.093
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.02 0.0761
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.047 0.095
Trypanosoma brucei Long chain fatty acyl elongase 0.0044 0.0475 0.181
Mycobacterium leprae conserved hypothetical protein 0.0043 0.047 0.5
Schistosoma mansoni hypothetical protein 0.0314 0.3828 0.5638
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0044 0.0475 0.181
Mycobacterium tuberculosis Conserved protein 0.0043 0.047 0.095
Onchocerca volvulus 0.0029 0.0295 0.1502
Trypanosoma cruzi fatty acid elongase, putative 0.0217 0.2625 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0296 0.0296
Brugia malayi latrophilin 2 splice variant baaae 0.0136 0.1617 0.2382
Onchocerca volvulus 0.0043 0.047 0.2397
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0042 0.0062
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0227 0.0334
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.062 0.2361
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0165 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0165 0.0629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0479 0.0705
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.047 0.0692
Trypanosoma brucei Fatty acid elongase 0.0217 0.2625 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.047 0.0692
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0021 0.0031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0479 0.0479
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.047 0.095
Schistosoma mansoni ap endonuclease 0.0019 0.0165 0.0243
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Schistosoma mansoni elongation of fatty acids protein 1 0.0044 0.0475 0.07
Loa Loa (eye worm) glutaminase 0.0553 0.679 1
Schistosoma mansoni importin beta-1 0.0029 0.0296 0.0436
Mycobacterium tuberculosis Conserved protein 0.0043 0.047 0.095
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0479 0.0705
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0165 0.7279
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.02 0.0761
Trichomonas vaginalis helicase, putative 0.0007 0.0013 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0227 0.0334
Mycobacterium ulcerans lipase LipD 0.0043 0.047 0.046
Toxoplasma gondii GNS1/SUR4 family protein 0.0217 0.2625 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0165 0.0629
Leishmania major importin beta-1 subunit, putative 0.0024 0.0227 0.0865
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0227 0.0334
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0296 0.1128
Schistosoma mansoni ran 0.0022 0.02 0.0294
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0365 0.1391
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Echinococcus granulosus importin subunit beta 1 0.0029 0.0296 0.0579
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0365 0.1391
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0479 0.0705
Schistosoma mansoni elongation of fatty acids protein 1 0.0044 0.0475 0.07
Mycobacterium leprae Probable lipase LipE 0.0043 0.047 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.047 0.1791
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.3025 0.4455
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0217 0.2625 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0165 0.0323
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0479 0.0937
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.207 0.3049
Schistosoma mansoni fatty acid acyl transferase-related 0.0044 0.0475 0.07
Echinococcus multilocularis dnaJ subfamily B 0.0418 0.5109 0.5109
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0217 0.2625 0.3866
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0712 0.0712
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.047 0.095
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Entamoeba histolytica Ran family GTPase 0.0022 0.02 0.8795
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Leishmania major fatty acid elongase, putative 0.0217 0.2625 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0021 0.0042
Plasmodium vivax importin-beta 2, putative 0.0029 0.0296 0.1128
Schistosoma mansoni hypothetical protein 0.0418 0.5109 0.7525
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0227 0.0865
Trichomonas vaginalis glutaminase, putative 0.0553 0.679 1
Schistosoma mansoni cpg binding protein 0.0031 0.0315 0.0464
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Brugia malayi Fatty acid elongation protein 3 0.0217 0.2625 0.3866
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.1961 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0314 0.3828 0.5638
Brugia malayi RNA, U transporter 1 0.0084 0.0969 0.1427
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0165 0.0629
Mycobacterium ulcerans hypothetical protein 0.0043 0.047 0.046
Schistosoma mansoni hypothetical protein 0.0136 0.1617 0.2382
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0021 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.047 0.1791
Echinococcus multilocularis elongation of very long chain fatty acids 0.0044 0.0475 0.0475
Loa Loa (eye worm) fatty acid elongation protein 3 0.0044 0.0475 0.07
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.02 0.0761
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0165 0.0629
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0702 0.1034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0044 0.0475 0.2423
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.02 0.0761
Schistosoma mansoni ap endonuclease 0.0019 0.0165 0.0243
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0165 0.0243
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0165 0.0629
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0165 0.0165
Loa Loa (eye worm) glutaminase 2 0.0553 0.679 1
Brugia malayi beta-lactamase 0.0043 0.047 0.0692
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0365 0.1391
Schistosoma mansoni ran 0.0022 0.02 0.0294
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.047 0.095
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0712 0.0712
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0043 0.0064
Schistosoma mansoni glutaminase 0.0553 0.679 1
Leishmania major GTP-binding protein, putative 0.0022 0.02 0.0761
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.02 0.0294
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0365 0.1391
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0365 0.0365
Loa Loa (eye worm) fatty acid elongation protein 3 0.0217 0.2625 0.3866
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0044 0.0475 0.181
Leishmania major fatty acid elongase, putative 0.0217 0.2625 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0199 0.2398 0.3532
Entamoeba histolytica hypothetical protein 0.0024 0.0227 1
Onchocerca volvulus 0.0043 0.047 0.2397
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0044 0.0475 0.07
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0365 0.0715
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.047 0.095
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0712 0.1393
Brugia malayi GNS1/SUR4 family protein 0.0044 0.0475 0.07
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0712 0.1048
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0044 0.0475 0.181
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.047 0.1791
Trichomonas vaginalis ran, putative 0.0022 0.02 0.0294
Brugia malayi fatty acid elongation protein 3 0.0044 0.0475 0.07
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0013 0.002
Echinococcus multilocularis GPCR, family 2 0.0063 0.0712 0.0712
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0165 0.0243
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0013 0.002
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0365 0.0538
Trypanosoma cruzi fatty acid elongase, putative 0.0044 0.0475 0.181
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Loa Loa (eye worm) fatty acid elongation protein 3 0.0044 0.0475 0.07
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0479 0.0705
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0217 0.2625 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.047 0.0692
Schistosoma mansoni hypothetical protein 0.0063 0.0712 0.1048
Brugia malayi fatty acid elongation protein 3 0.0044 0.0475 0.07
Brugia malayi beta-lactamase family protein 0.0043 0.047 0.0692
Trypanosoma brucei Fatty acid elongase 0.0044 0.0475 0.181
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0479 0.0705
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.047 0.0692
Loa Loa (eye worm) ELO-9 protein 0.0044 0.0475 0.07
Echinococcus granulosus GPCR family 2 0.0063 0.0712 0.1393
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0044 0.0475 0.07
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.207 0.3049
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0165 0.0243
Onchocerca volvulus 0.0043 0.047 0.2397
Brugia malayi fatty acid elongation protein 3 0.0044 0.0475 0.07
Leishmania major fatty acid elongase, putative 0.0217 0.2625 1
Mycobacterium ulcerans glutaminase 0.0553 0.679 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.047 0.046
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0165 0.0243
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0365 0.1391
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.02 0.0391
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0044 0.0475 0.181
Loa Loa (eye worm) hypothetical protein 0.0044 0.0475 0.07
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0217 0.2625 1
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0712 0.1393
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0217 0.2625 1
Trichomonas vaginalis esterase, putative 0.0043 0.047 0.0692
Brugia malayi Augmenter of liver regeneration 0.0035 0.0365 0.0538
Onchocerca volvulus 0.0044 0.0475 0.2423
Brugia malayi Importin beta-1 subunit 0.0029 0.0296 0.0436
Brugia malayi CXXC zinc finger family protein 0.0029 0.0295 0.0434
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0296 0.1128
Schistosoma mansoni cpg binding protein 0.0031 0.0315 0.0464
Leishmania major hypothetical protein, conserved 0.0043 0.047 0.1791
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0712 0.1048
Plasmodium falciparum importin beta, putative 0.0029 0.0296 0.1128
Loa Loa (eye worm) fatty acid elongation protein 3 0.0044 0.0475 0.07
Trypanosoma cruzi fatty acid elongase, putative 0.0217 0.2625 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0295 0.0434
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.047 0.0692
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Schistosoma mansoni elongation of fatty acids protein 1 0.0044 0.0475 0.07
Echinococcus granulosus snurportin 1 0.0314 0.3828 0.7492
Trypanosoma cruzi fatty acid elongase, putative 0.0217 0.2625 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.2398 0.3532
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.047 0.0692
Brugia malayi beta-lactamase family protein 0.0043 0.047 0.0692
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0063 0.0712 0.1048
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0199 0.2398 0.3532
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0365 0.1391
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0165 0.0629
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.047 0.0692
Toxoplasma gondii ABC1 family protein 0.0043 0.047 0.1791
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.02 0.0761
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.3025 0.4455
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.3025 0.4455
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.047 0.046
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0365 0.1391
Echinococcus granulosus elongation of very long chain fatty acids 0.0044 0.0475 0.093
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0044 0.0475 0.2423
Loa Loa (eye worm) hypothetical protein 0.0043 0.047 0.0692
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0013 0.002
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0013 0.002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0479 0.0479
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.1961 0.2888
Loa Loa (eye worm) hypothetical protein 0.0029 0.0296 0.0436
Leishmania major fatty acid elongase, putative 0.0044 0.0475 0.181
Plasmodium vivax hypothetical protein, conserved 0.0043 0.047 0.1791
Echinococcus granulosus cpg binding protein 0.0031 0.0315 0.0617
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0044 0.0475 0.181
Toxoplasma gondii fatty acid elongase 0.0044 0.0475 0.181
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.047 0.046
Leishmania major hypothetical protein, conserved 0.0035 0.0365 0.1391
Schistosoma mansoni hypothetical protein 0.0063 0.0712 0.1048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 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) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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