Detailed information for compound 757898

Basic information

Technical information
  • TDR Targets ID: 757898
  • Name: 1-(4-chlorophenyl)-5-phenylpyrazole-3-carboxy lic acid
  • MW: 298.724 | Formula: C16H11ClN2O2
  • H donors: 1 H acceptors: 3 LogP: 4.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1nc(cc1c1ccccc1)C(=O)O
  • InChi: 1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-10H,(H,20,21)
  • InChiKey: LUSBYKYLOHVYEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-5-phenyl-pyrazole-3-carboxylic acid
  • 1-(4-chlorophenyl)-5-phenyl-3-pyrazolecarboxylic acid
  • SMR000338059
  • 4N-637S
  • EU-0079596
  • 1-(4-chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
  • MLS000755188

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica protein kinase domain containing protein 0.0084 0.0879 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0263 0.0255
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0263 0.1491
Trypanosoma cruzi DNA polymerase eta, putative 0.0072 0.0729 0.5109
Toxoplasma gondii ABC1 family protein 0.0043 0.0372 0.2953
Trypanosoma brucei DNA polymerase kappa, putative 0.0054 0.0507 0.3319
Schistosoma mansoni PwLAP aminopeptidase (M17 family) 0.0022 0.0097 0.0097
Loa Loa (eye worm) MBCTL1 0.0051 0.0465 0.1505
Plasmodium falciparum DNA repair protein REV1, putative 0.0022 0.0096 0.06
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Brugia malayi mbt repeat family protein 0.0045 0.0387 0.1235
Mycobacterium ulcerans leucyl aminopeptidase 0.0109 0.12 0.1716
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.1934
Chlamydia trachomatis pyruvate kinase 0.0031 0.0217 0.1073
Schistosoma mansoni pyruvate kinase 0.0031 0.0217 0.0217
Trichomonas vaginalis DNA polymerase eta, putative 0.0095 0.1017 1
Entamoeba histolytica hypothetical protein 0.0022 0.0099 0.0018
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Echinococcus granulosus leucine aminopeptidase protein 0.0109 0.12 0.12
Trypanosoma cruzi pyruvate kinase 2, putative 0.0031 0.0217 0.0981
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0372 0.1181
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0109 0.12 0.1712
Echinococcus multilocularis L aminoadipate semialdehyde 0.0078 0.0806 0.0806
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0372 0.2227
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0084 0.0879 0.2981
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0072 0.0729 0.5997
Trypanosoma brucei DNA polymerase IV, putative 0.0095 0.1017 0.7427
Brugia malayi Aminopeptidase W07G4.4 in chromosome V 0.0022 0.0097 0.02
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0372 0.0424
Trypanosoma brucei DNA polymerase IV, putative 0.0088 0.0939 0.6798
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0097 0.1052 0.8743
Trypanosoma brucei DNA polymerase kappa, putative 0.0076 0.078 0.552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0419 0.0419
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0419
Echinococcus granulosus L aminoadipate semialdehyde 0.0078 0.0806 0.0806
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0372 0.0424
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.1934
Mycobacterium ulcerans pyruvate kinase 0.0031 0.0217 0.0189
Echinococcus granulosus cpg binding protein 0.006 0.0578 0.0578
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0109 0.12 0.8899
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0424
Loa Loa (eye worm) pyruvate kinase 0.0031 0.0217 0.062
Trypanosoma brucei aminopeptidase, putative 0.0022 0.0097 0.0011
Echinococcus multilocularis histone acetyltransferase MYST2 0.0051 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0047 0.041 0.1309
Echinococcus multilocularis polycomb protein SCMH1 0.0045 0.0387 0.0387
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0372 0.0372
Echinococcus multilocularis leucine aminopeptidase protein 0.0109 0.12 0.12
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3333 0.503
Echinococcus granulosus dna polymerase kappa 0.0095 0.1017 0.1017
Trypanosoma brucei DNA polymerase IV, putative 0.0095 0.1017 0.7427
Mycobacterium tuberculosis Conserved hypothetical protein 0.007 0.0702 0.0938
Echinococcus granulosus dual specificity 0.0084 0.0879 0.0879
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0084 0.0879 0.6312
Echinococcus multilocularis dnaJ subfamily B 0.0805 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0372 0.1934
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0805 1 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0263 0.2028
Echinococcus granulosus SAM and MBT domain containing protein 0.0045 0.0387 0.0387
Schistosoma mansoni sex comb on midleg homolog 0.0045 0.0387 0.0387
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.0412 0.4029
Trypanosoma brucei unspecified product 0.0048 0.0429 0.269
Brugia malayi polk-prov protein 0.0047 0.041 0.1318
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.0412 0.0487
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.0097 0.0097
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0239 0.0218
Plasmodium falciparum pyruvate kinase 0.0031 0.0217 0.1636
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0412 0.0493
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0372 0.1172
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0412 0.4029
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0412 0.2554
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0176 0.2047 0.2047
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0051 0.0465 0.0465
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0022 0.0099 0.0006
Leishmania major DNA polymerase eta, putative 0.012 0.1336 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0372 0.043
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0095 0.1017 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0084 0.0879 0.6312
Brugia malayi beta-lactamase family protein 0.0043 0.0372 0.1181
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0078 0.0806 0.0806
Echinococcus granulosus geminin 0.0334 0.4039 0.4039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0419
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0022 0.0097 0.02
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0372 0.0424
Brugia malayi Protein kinase domain containing protein 0.0084 0.0879 0.2988
Trypanosoma brucei DNA polymerase eta, putative 0.012 0.1336 1
Echinococcus multilocularis pyruvate kinase 0.0031 0.0217 0.0217
Mycobacterium ulcerans hypothetical protein 0.0097 0.1052 0.1487
Loa Loa (eye worm) mbt repeat family protein 0.0045 0.0387 0.1226
Schistosoma mansoni leucine aminopeptidase 0.0022 0.0097 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0412 0.0493
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.007 0.0702 0.0702
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0022 0.0099 0.0631
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0372 0.0372
Entamoeba histolytica hypothetical protein 0.0084 0.0879 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.007 0.0702 0.7742
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0045 0.0387 0.2881
Brugia malayi beta-lactamase family protein 0.0043 0.0372 0.1181
Loa Loa (eye worm) hypothetical protein 0.0035 0.0263 0.0784
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Loa Loa (eye worm) hypothetical protein 0.0035 0.0263 0.0784
Trypanosoma brucei hypothetical protein, conserved 0.0022 0.0099 0.0029
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0051 0.0465 0.0465
Mycobacterium ulcerans DNA polymerase IV 0.0095 0.1017 0.1433
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0412 0.2554
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.2845 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0372 0.0424
Schistosoma mansoni cpg binding protein 0.006 0.0578 0.0578
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.0412 0.0493
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0031 0.0217 0.0184
Schistosoma mansoni DNA polymerase IV / kappa 0.0022 0.0096 0.0096
Treponema pallidum licC protein (licC) 0.0097 0.1052 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0263 0.0784
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0078 0.0806 0.273
Trypanosoma brucei pyruvate kinase 1, putative 0.0031 0.0217 0.0981
Brugia malayi mbt repeat family protein 0.0045 0.0387 0.1235
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0084 0.0879 0.6312
Brugia malayi ImpB/MucB/SamB family protein 0.007 0.0702 0.2359
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0424
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0109 0.12 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0098 0.0194
Chlamydia trachomatis cytosol aminopeptidase 0.0109 0.12 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0217 0.062
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0531 0.6528 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0412 0.1317
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0419 0.135
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Onchocerca volvulus 0.0045 0.0387 0.2881
Trichomonas vaginalis esterase, putative 0.0043 0.0372 0.1934
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0531 0.6528 1
Onchocerca volvulus 0.0057 0.0537 0.5429
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Loa Loa (eye worm) beta-lactamase 0.0043 0.0372 0.1172
Trypanosoma cruzi DNA polymerase eta, putative 0.012 0.1336 1
Mycobacterium ulcerans DNA polymerase IV 0.0095 0.1017 0.1433
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0412 0.0487
Echinococcus multilocularis pyruvate kinase 0.0031 0.0217 0.0217
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0263 0.2028
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0239 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.041 0.2536
Brugia malayi beta-lactamase 0.0043 0.0372 0.1181
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0372 0.1934
Schistosoma mansoni hypothetical protein 0.0334 0.4039 0.4039
Echinococcus multilocularis SAM and MBT domain containing protein 0.0045 0.0387 0.0387
Leishmania major DNA polymerase kappa, putative 0.0076 0.078 0.552
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0531 0.6528 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0412 0.1325
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0022 0.0096 0.06
Giardia lamblia DNA damage repair protein 0.0022 0.0096 0.0933
Loa Loa (eye worm) hypothetical protein 0.0047 0.0412 0.1317
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0022 0.0099 0.0631
Trypanosoma brucei unspecified product 0.0088 0.0939 0.6798
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0239 0.0218
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.0879 0.0879
Mycobacterium tuberculosis Conserved hypothetical protein 0.0097 0.1052 0.1482
Onchocerca volvulus 0.0047 0.0412 0.3313
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Plasmodium vivax DNA repair protein REV1, putative 0.0022 0.0096 0.06
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.0412 0.0493
Loa Loa (eye worm) hypothetical protein 0.0035 0.0263 0.0784
Plasmodium vivax pyruvate kinase, putative 0.0031 0.0217 0.1636
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0372 0.0372
Mycobacterium ulcerans lipase LipD 0.0043 0.0372 0.043
Brugia malayi follicle stimulating hormone receptor 0.0239 0.2845 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Echinococcus multilocularis pyruvate kinase 0.0016 0.0025 0.0025
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.007 0.0702 0.0702
Entamoeba histolytica protein kinase, putative 0.0084 0.0879 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0531 0.6528 1
Loa Loa (eye worm) aminopeptidase in chromosome V 0.0022 0.0097 0.019
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0109 0.12 0.8899
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.041 0.2536
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0076 0.078 0.552
Mycobacterium tuberculosis Conserved protein 0.0043 0.0372 0.0424
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0239 0.0218
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0109 0.12 0.8899
Loa Loa (eye worm) hypothetical protein 0.0035 0.0263 0.0784
Loa Loa (eye worm) aminopeptidase in chromosome III 0.0022 0.0097 0.019
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0372 0.0424
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Loa Loa (eye worm) hypothetical protein 0.0051 0.0465 0.1505
Echinococcus granulosus dna polymerase eta 0.012 0.1336 0.1336
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0051 0.0465 0.1513
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0372 0.0424
Giardia lamblia DINP protein human, muc B family 0.0076 0.078 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0419 0.0419
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.0412 0.0487
Toxoplasma gondii pyruvate kinase PyK1 0.0031 0.0217 0.1636
Mycobacterium ulcerans beta-lactamase 0.0043 0.0372 0.043
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0372 0.2227
Echinococcus multilocularis dna polymerase kappa 0.0095 0.1017 0.1017
Onchocerca volvulus 0.0043 0.0372 0.2625
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0176 0.2047 0.2047
Mycobacterium leprae Probable lipase LipE 0.0043 0.0372 0.0424
Trypanosoma brucei DNA polymerase kappa, putative 0.0054 0.0507 0.3319
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.0044 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0263 0.0261
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0045 0.0387 0.0387
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Onchocerca volvulus 0.0078 0.0806 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0031 0.0217 0.0981
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0109 0.12 0.8899
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.0412 0.2554
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0022 0.0099 0.0631
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0372 0.043
Loa Loa (eye worm) hypothetical protein 0.012 0.1336 0.4614
Schistosoma mansoni hypothetical protein 0.0272 0.3254 0.3254
Echinococcus granulosus histone acetyltransferase MYST2 0.0051 0.0465 0.0465
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0372 0.1934
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0537 0.1762
Echinococcus granulosus ankyrin repeat domain containing protein 17 0.0022 0.0097 0.0097
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0076 0.078 0.106
Echinococcus multilocularis pyruvate kinase 0.0025 0.0134 0.0134
Echinococcus multilocularis dna polymerase eta 0.012 0.1336 0.1336
Mycobacterium tuberculosis Conserved hypothetical protein 0.0097 0.1052 0.1482
Toxoplasma gondii leucyl aminopeptidase LAP 0.0109 0.12 1
Schistosoma mansoni pyruvate kinase 0.0016 0.0025 0.0025
Schistosoma mansoni DNA polymerase eta 0.012 0.1336 0.1336
Schistosoma mansoni terminal deoxycytidyl transferase 0.007 0.0702 0.0702
Echinococcus multilocularis microtubule associated protein 2 0.0713 0.8827 0.8827
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.0412 0.4029
Echinococcus granulosus pyruvate kinase 0.0031 0.0217 0.0217
Schistosoma mansoni microtubule-associated protein tau 0.0713 0.8827 0.8827
Echinococcus multilocularis pyruvate kinase 0.0016 0.0025 0.0025
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.0412 0.0493
Loa Loa (eye worm) hypothetical protein 0.0083 0.0873 0.2962
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.0044 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0054 0.0507 0.3319
Echinococcus granulosus pyruvate kinase 0.0016 0.0025 0.0025
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0097 0.1052 0.1487
Loa Loa (eye worm) hypothetical protein 0.0078 0.0806 0.2723
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0028 0.0174 0.1265
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Onchocerca volvulus 0.0043 0.0372 0.2625
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0419 0.0419
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.0412 0.0493
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0419 0.0419
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0022 0.0099 0.0006
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0109 0.12 0.1712
Brugia malayi Pyruvate kinase, muscle isozyme 0.0031 0.0217 0.0629
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.007 0.0702 0.2352
Echinococcus granulosus pyruvate kinase 0.0031 0.0217 0.0217
Echinococcus multilocularis dual specificity 0.0084 0.0879 0.0879
Echinococcus granulosus leucyl aminopeptidase 0.0022 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0045 0.0387 0.1226
Loa Loa (eye worm) pyruvate kinase 0.0031 0.0217 0.062
Mycobacterium ulcerans hypothetical protein 0.0043 0.0372 0.043
Loa Loa (eye worm) hypothetical protein 0.0043 0.0372 0.1172
Echinococcus granulosus pyruvate kinase 0.0016 0.0025 0.0025
Echinococcus granulosus polycomb protein SCMH1 0.0045 0.0387 0.0387
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0412 0.1325
Loa Loa (eye worm) pyruvate kinase-PB 0.0022 0.0098 0.0194
Schistosoma mansoni cpg binding protein 0.0057 0.0537 0.0537
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0419 0.0419
Schistosoma mansoni hypothetical protein 0.0334 0.4039 0.4039
Mycobacterium ulcerans hypothetical protein 0.0047 0.0412 0.0493
Trypanosoma brucei unspecified product 0.0048 0.0429 0.269
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0372 0.0372
Brugia malayi CXXC zinc finger family protein 0.0057 0.0537 0.177
Entamoeba histolytica protein kinase, putative 0.0084 0.0879 1
Echinococcus multilocularis pyruvate kinase 0.0016 0.0025 0.0025
Schistosoma mansoni sex comb on midleg homolog 0.0045 0.0387 0.0387
Echinococcus granulosus leucyl aminopeptidase 0.0022 0.0097 0.0097
Schistosoma mansoni mixed-lineage leukemia protein mll 0.012 0.1338 0.1338
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0372 0.2953
Leishmania major pyruvate kinase 0.0031 0.0217 0.0981
Loa Loa (eye worm) hypothetical protein 0.0047 0.0412 0.1317
Schistosoma mansoni myelin transcription factor 1 myt1 0.0051 0.0465 0.0465
Leishmania major pyruvate kinase 0.0031 0.0217 0.0981
Brugia malayi ImpB/MucB/SamB family protein 0.012 0.1336 0.462
Brugia malayi Pyruvate kinase, M2 isozyme 0.0031 0.0217 0.0629
Echinococcus multilocularis geminin 0.0334 0.4039 0.4039
Loa Loa (eye worm) hypothetical protein 0.0083 0.0873 0.2962
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Schistosoma mansoni cpg binding protein 0.006 0.0578 0.0578
Plasmodium falciparum M17 leucyl aminopeptidase 0.0109 0.12 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0084 0.0879 0.6312
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0372 0.2227
Trypanosoma brucei DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0419 0.1342
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.0412 0.0487
Echinococcus granulosus pyruvate kinase 0.0016 0.0025 0.0025
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0109 0.12 0.1712
Trypanosoma brucei pyruvate kinase 1 0.0031 0.0217 0.0981
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.0412 0.0493
Leishmania major DNA polymerase eta, putative 0.0072 0.0729 0.5109
Echinococcus granulosus microtubule associated protein 2 0.0713 0.8827 0.8827
Echinococcus multilocularis leucyl aminopeptidase 0.0022 0.0097 0.0097
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0022 0.0099 0.0631
Brugia malayi cytosol aminopeptidase 0.0022 0.0097 0.02
Mycobacterium ulcerans hypothetical protein 0.0097 0.1052 0.1487
Mycobacterium leprae Probable pyruvate kinase PykA 0.0031 0.0217 0.0184
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0372 0.0424
Brugia malayi Aminopeptidase ZK353.6 in chromosome III 0.0022 0.0097 0.02
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.007 0.0702 0.0702
Leishmania major phosphopantetheinyl transferase-like protein 0.0022 0.0099 0.0029
Leishmania major hypothetical protein, conserved 0.0043 0.0372 0.2227
Echinococcus multilocularis cpg binding protein 0.006 0.0578 0.0578
Trypanosoma cruzi DNA polymerase kappa, putative 0.0095 0.1017 0.7427
Toxoplasma gondii histone lysine methyltransferase SET1 0.0107 0.1176 0.9802
Brugia malayi AMP-binding enzyme family protein 0.0047 0.0412 0.1325
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0372 0.0424
Schistosoma mansoni pyruvate kinase 0.0031 0.0217 0.0217
Onchocerca volvulus 0.0043 0.0372 0.2625
Giardia lamblia Pyruvate kinase 0.0031 0.0217 0.2544
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17 0.0022 0.0097 0.0011
Loa Loa (eye worm) pyruvate kinase 0.0031 0.0217 0.062

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0131 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) 0.7079 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) = 3.5481 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) 25.1189 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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