Detailed information for compound 1337757

Basic information

Technical information
  • TDR Targets ID: 1337757
  • Name: 1-[(3-chlorophenyl)methyl]pyrrole-2-carboxami de
  • MW: 234.682 | Formula: C12H11ClN2O
  • H donors: 1 H acceptors: 1 LogP: 2.09 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)Cn1cccc1C(=O)N
  • InChi: 1S/C12H11ClN2O/c13-10-4-1-3-9(7-10)8-15-6-2-5-11(15)12(14)16/h1-7H,8H2,(H2,14,16)
  • InChiKey: BJLNGUITELOITD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(3-chlorophenyl)methyl]-2-pyrrolecarboxamide
  • 1-(3-chlorobenzyl)pyrrole-2-carboxamide
  • MLS000520964
  • SMR000131373

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Pyruvate kinase homolog 0.0532 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0134 0.0083
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0061 0.0051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0191 0.0182
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0995 0.0948
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.1204 0.1084
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0717 0.0717
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0134 0.0083
Schistosoma mansoni lamin 0.0027 0.028 0.023
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0061 0.0024
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0082 0.0072
Echinococcus granulosus pyruvate kinase 0.0273 0.5014 0.501
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0214 0.3887 0.3881
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0061 0.0051
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0134 0.0053
Chlamydia trachomatis pyruvate kinase 0.0532 1 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0134 0.0134
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.1204 0.1084
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0085 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Loa Loa (eye worm) hypothetical protein 0.005 0.0717 0.0717
Onchocerca volvulus 0.0027 0.028 0.02
Onchocerca volvulus 0.0075 0.1204 0.1131
Toxoplasma gondii pyruvate kinase PyK1 0.0532 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0082 0.0072
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.1204 0.1084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0085 0.0034
Echinococcus multilocularis lamin 0.0027 0.028 0.0271
Schistosoma mansoni hypothetical protein 0.017 0.3021 0.2985
Schistosoma mansoni hypothetical protein 0.0016 0.0061 0.0009
Brugia malayi Pyruvate kinase, M2 isozyme 0.0532 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1204 0.1131
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Loa Loa (eye worm) intermediate filament protein 0.0027 0.028 0.028
Giardia lamblia Pyruvate kinase 0.0273 0.5014 0.4947
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0927 0.0918
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0134 0.0125
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0214 0.3887 0.3881
Loa Loa (eye worm) hypothetical protein 0.0043 0.0579 0.0579
Leishmania major DNA polymerase kappa, putative 0.002 0.0134 0.0083
Echinococcus granulosus GPCR family 2 0.0016 0.0061 0.0051
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0082 0.0045
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Brugia malayi hypothetical protein 0.0238 0.4347 0.4325
Brugia malayi MH2 domain containing protein 0.0118 0.2023 0.1993
Loa Loa (eye worm) hypothetical protein 0.0371 0.6901 0.6901
Loa Loa (eye worm) pyruvate kinase 0.0112 0.1915 0.1915
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Onchocerca volvulus 0.0075 0.1204 0.1131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1567 0.1559
Loa Loa (eye worm) hypothetical protein 0.0017 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0016 0.0061 0.0009
Brugia malayi PHD-finger family protein 0.0025 0.0237 0.02
Echinococcus multilocularis pyruvate kinase 0.0532 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.028 0.023
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1567 0.1559
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0134 0.0083
Loa Loa (eye worm) hypothetical protein 0.0016 0.0061 0.0061
Schistosoma mansoni lamin 0.0027 0.028 0.023
Echinococcus multilocularis geminin 0.017 0.3021 0.3015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0061 0.0051
Loa Loa (eye worm) pyruvate kinase-PB 0.0371 0.6901 0.6901
Schistosoma mansoni hypothetical protein 0.0049 0.0693 0.0645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1567 0.1523
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Echinococcus multilocularis GPCR, family 2 0.0016 0.0061 0.0051
Mycobacterium tuberculosis Conserved protein 0.0075 0.1204 0.1084
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1204 0.1158
Entamoeba histolytica hypothetical protein 0.0214 0.3887 0.558
Trypanosoma brucei pyruvate kinase 1, putative 0.0532 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0134 0.0083
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Trypanosoma brucei unspecified product 0.002 0.0134 0.0117
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0037 0.0037
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0134 0.0125
Echinococcus granulosus pyruvate kinase 0.0273 0.5014 0.501
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.1204 0.1158
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.1204 0.1204
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0995 0.0948
Toxoplasma gondii pyruvate kinase PyKII 0.0273 0.5014 0.4973
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0061 0.0051
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0907 0.0898
Schistosoma mansoni hypothetical protein 0.0016 0.0061 0.0009
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0082 0.0072
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0082 0.0072
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0085 0.0076
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0085 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Giardia lamblia Pyruvate kinase 0.0532 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1204 0.1131
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0161 0.2856 0.283
Trypanosoma cruzi pyruvate kinase 2, putative 0.0532 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.1204 0.1195
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0134 0.0083
Schistosoma mansoni pyruvate kinase 0.0532 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Loa Loa (eye worm) hypothetical protein 0.0532 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0371 0.6901 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0496 0.0496
Onchocerca volvulus 0.0075 0.1204 0.1131
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0085 0.0034
Leishmania major cathepsin L-like protease 0.0017 0.0082 0.003
Brugia malayi hypothetical protein 0.0214 0.3887 0.3864
Schistosoma mansoni hypothetical protein 0.0034 0.0413 0.0364
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0134 0.0083
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0134 0.0117
Echinococcus multilocularis pyruvate kinase 0.0273 0.5014 0.501
Echinococcus granulosus cathepsin l1 0.0017 0.0082 0.0072
Leishmania major DNA polymerase eta, putative 0.002 0.0134 0.0083
Entamoeba histolytica hypothetical protein 0.0214 0.3887 0.558
Schistosoma mansoni survival motor neuron protein 0.0049 0.0693 0.0645
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.1204 0.1131
Loa Loa (eye worm) fibroinase 0.0017 0.0082 0.0082
Brugia malayi Bromodomain containing protein 0.0038 0.0495 0.0459
Echinococcus multilocularis pyruvate kinase 0.042 0.7842 0.784
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1567 0.1523
Onchocerca volvulus Pyruvate kinase homolog 0.0532 1 1
Brugia malayi intermediate filament protein 0.0027 0.028 0.0244
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1567 0.1559
Trichomonas vaginalis pyruvate kinase, putative 0.0532 1 1
Echinococcus granulosus intermediate filament protein 0.0027 0.028 0.0271
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0927 0.088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1567 0.1536
Loa Loa (eye worm) pyruvate kinase 0.0532 1 1
Leishmania major cathepsin L-like protease 0.0017 0.0082 0.003
Echinococcus granulosus dna polymerase eta 0.002 0.0134 0.0125
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.4347 0.4341
Loa Loa (eye worm) hypothetical protein 0.0017 0.0085 0.0085
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.1204 0.1188
Schistosoma mansoni bromodomain containing protein 0.0063 0.0976 0.0929
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.1204 0.1084
Loa Loa (eye worm) hypothetical protein 0.0034 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.017 0.3021 0.2985
Echinococcus multilocularis cysteine protease 0.0017 0.0082 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1204 0.1131
Leishmania major cathepsin L-like protease 0.0017 0.0082 0.003
Onchocerca volvulus 0.0027 0.028 0.02
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0085 0.0076
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.1204 0.1084
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1204 0.1158
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2023 0.2023
Leishmania major cathepsin L-like protease 0.0017 0.0082 0.003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0927 0.0803
Mycobacterium leprae Probable pyruvate kinase PykA 0.0532 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0134 0.0117
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0995 0.0948
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.1204 0.1131
Trypanosoma brucei ISWI complex protein 0.0015 0.0052 0.0035
Entamoeba histolytica hypothetical protein 0.0214 0.3887 0.558
Echinococcus granulosus geminin 0.017 0.3021 0.3015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0082 0.003
Leishmania major pyruvate kinase 0.0532 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0532 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.1204 0.1195
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0154 0.0154
Brugia malayi beta-lactamase 0.0075 0.1204 0.1171
Schistosoma mansoni pyruvate kinase 0.0532 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1119 0.1119
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0449 0.044
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Mycobacterium ulcerans lipase LipD 0.0075 0.1204 0.1084
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0134 0.0117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0134 0.0117
Leishmania major cathepsin L-like protease 0.0064 0.0995 0.0948
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0449 0.044
Loa Loa (eye worm) cysteine protease 0.0017 0.0082 0.0082
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0532 1 1
Trichomonas vaginalis esterase, putative 0.0075 0.1204 0.1131
Mycobacterium ulcerans beta-lactamase 0.0075 0.1204 0.1084
Echinococcus granulosus pyruvate kinase 0.0532 1 1
Echinococcus granulosus pyruvate kinase 0.0532 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Loa Loa (eye worm) pyruvate kinase 0.0532 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0134 0.0083
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0134
Echinococcus multilocularis dna polymerase kappa 0.002 0.0134 0.0125
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0927 0.0803
Brugia malayi pyruvate kinase 0.0112 0.1915 0.1885
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0134 0.0083
Echinococcus multilocularis lamin dm0 0.0027 0.028 0.0271
Loa Loa (eye worm) pyruvate kinase 0.0532 1 1
Trichomonas vaginalis pyruvate kinase, putative 0.0532 1 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0134 0.0125
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0082 0.0072
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0888 0.084
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.1204 0.1171
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.028 0.028
Toxoplasma gondii ABC1 family protein 0.0075 0.1204 0.1131
Plasmodium vivax hypothetical protein, conserved 0.0075 0.1204 0.1131
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Echinococcus multilocularis zinc finger protein 0.002 0.0134 0.0125
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.073 0.0682
Entamoeba histolytica hypothetical protein 0.0214 0.3887 0.558
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0927 0.0918
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0082 0.0072
Schistosoma mansoni hypothetical protein 0.0016 0.0061 0.0009
Schistosoma mansoni hypothetical protein 0.0021 0.0154 0.0103
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0082 0.003
Mycobacterium tuberculosis Possible penicillin-binding protein 0.048 0.8999 0.8985
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0927 0.0803
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0134 0.0077
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0927 0.088
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0082 0.003
Echinococcus multilocularis musashi 0.0027 0.028 0.0271
Echinococcus multilocularis pyruvate kinase 0.0273 0.5014 0.501
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0082 0.0082
Schistosoma mansoni zinc finger protein 0.002 0.0134 0.0083
Mycobacterium tuberculosis Conserved protein 0.0075 0.1204 0.1084
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0134 0.0053
Loa Loa (eye worm) hypothetical protein 0.0041 0.0542 0.0542
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.1204 0.1084
Echinococcus multilocularis dna polymerase eta 0.002 0.0134 0.0125
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0413 0.0378
Echinococcus multilocularis pyruvate kinase 0.0532 1 1
Loa Loa (eye worm) beta-lactamase 0.0075 0.1204 0.1204
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0134 0.0117
Echinococcus granulosus zinc finger protein 0.002 0.0134 0.0125
Echinococcus granulosus lamin 0.0027 0.028 0.0271
Echinococcus multilocularis pyruvate kinase 0.0273 0.5014 0.501
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0097 0.0097
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0693 0.0658
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0995 0.0948
Mycobacterium tuberculosis Conserved protein 0.0075 0.1204 0.1084
Brugia malayi beta-lactamase family protein 0.0075 0.1204 0.1171
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.1204 0.1158
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0134 0.0097
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0134 0.0097
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0085 0.0034
Onchocerca volvulus Pyruvate kinase homolog 0.0532 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0082 0.003
Leishmania major cathepsin L-like protease 0.0064 0.0995 0.0948
Echinococcus granulosus pyruvate kinase 0.0273 0.5014 0.501
Schistosoma mansoni transcription factor LCR-F1 0.0214 0.3887 0.3855
Plasmodium falciparum pyruvate kinase 0.0532 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1567 0.1523
Onchocerca volvulus 0.0049 0.0693 0.0616
Leishmania major hypothetical protein, conserved 0.0075 0.1204 0.1158
Brugia malayi beta-lactamase family protein 0.0075 0.1204 0.1171
Echinococcus multilocularis cysteine protease 0.0017 0.0082 0.0072
Leishmania major cathepsin L-like protease 0.0064 0.0995 0.0948
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0717 0.0682
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.028 0.0244
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1567 0.1567
Trypanosoma brucei pyruvate kinase 1 0.0532 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1204 0.1204
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0082 0.0082
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0717 0.0682
Brugia malayi pyruvate kinase, muscle isozyme 0.0112 0.1915 0.1885
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0191 0.014
Loa Loa (eye worm) hypothetical protein 0.0238 0.4347 0.4347
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0927 0.088
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2023 0.2023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0927 0.0852
Mycobacterium ulcerans pyruvate kinase 0.0532 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0271 0.0271
Plasmodium vivax pyruvate kinase 2, putative 0.0273 0.5014 0.4973
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.1204 0.1084
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0061 0.0024
Schistosoma mansoni pyruvate kinase 0.0273 0.5014 0.4989
Loa Loa (eye worm) hypothetical protein 0.0027 0.028 0.028
Echinococcus granulosus lamin dm0 0.0027 0.028 0.0271
Schistosoma mansoni DNA polymerase eta 0.002 0.0134 0.0083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0927 0.0803
Leishmania major pyruvate kinase 0.0532 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0907 0.0898
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1567 0.1559
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0085 0.0076
Brugia malayi Cathepsin L-like precursor 0.0017 0.0082 0.0045
Leishmania major cathepsin L-like protease 0.0017 0.0082 0.003
Loa Loa (eye worm) ctsf protein 0.0017 0.0082 0.0082
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0191 0.0182
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0995 0.098
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0214 0.3887 0.3855
Plasmodium vivax pyruvate kinase, putative 0.0532 1 1
Brugia malayi Bromodomain containing protein 0.0075 0.1202 0.1169
Mycobacterium ulcerans hypothetical protein 0.0075 0.1204 0.1084
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.1204 0.1084
Plasmodium falciparum pyruvate kinase 2 0.0273 0.5014 0.4973
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.1204 0.1084
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.4347 0.4341

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 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) 3.6964 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: Inhibitors of T. brucei phosphofructokinase: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: Tb PFK orthogonal confirmatory assay using ATP depletion (Kinase-Glo Plus) as an alternative measure of Tb PFK activity: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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